Cas no 82203-01-8 ((10aR,11R,12aR,25aR,25bS)-2,3,4,5,6,7,17,18,19,20,21,22-Dodecahydroxy-9,15,24,27-tetraoxo-9,10a,11,12a,13,15,24,25a,25b,27-decahydrodibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':4,5]pyrano[3,2- b][1,5]dioxacycloundecin-11-yl 2-[5-({[(10aR,11R,12aR,25aR,25bS)-2,3,4,5,6,7,17,18,19,20,21,22-dodecahydroxy-9,15,24,27-tetraoxo-9,10a,11,12a,13,15,24,25a,25b,27-decahydrodibenzo[g,i]dibenzo[6',7':8', 9'][1,4]dioxecino[2',3':4,5]pyrano[3,2-b][1,)

(10aR,11R,12aR,25aR,25bS)-2,3,4,5,6,7,17,18,19,20,21,22-Dodecahydroxy-9,15,24,27-tetraoxo-9,10a,11,12a,13,15,24,25a,25b,27-decahydrodibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':4,5]pyrano[3,2-
b][1,5]dioxacycloundecin-11-yl 2-[5-({[(10aR,11R,12aR,25aR,25bS)-2,3,4,5,6,7,17,18,19,20,21,22-dodecahydroxy-9,15,24,27-tetraoxo-9,10a,11,12a,13,15,24,25a,25b,27-decahydrodibenzo[g,i]dibenzo[6',7':8',
9'][1,4]dioxecino[2',3':4,5]pyrano[3,2-b][1, structure
82203-01-8 structure
Product Name:(10aR,11R,12aR,25aR,25bS)-2,3,4,5,6,7,17,18,19,20,21,22-Dodecahydroxy-9,15,24,27-tetraoxo-9,10a,11,12a,13,15,24,25a,25b,27-decahydrodibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':4,5]pyrano[3,2- b][1,5]dioxacycloundecin-11-yl 2-[5-({[(10aR,11R,12aR,25aR,25bS)-2,3,4,5,6,7,17,18,19,20,21,22-dodecahydroxy-9,15,24,27-tetraoxo-9,10a,11,12a,13,15,24,25a,25b,27-decahydrodibenzo[g,i]dibenzo[6',7':8', 9'][1,4]dioxecino[2',3':4,5]pyrano[3,2-b][1,
CAS No:82203-01-8
MF:C82H54O52
MW:1871.27498865128
CID:724475
PubChem ID:16129732
Update Time:2024-10-27

(10aR,11R,12aR,25aR,25bS)-2,3,4,5,6,7,17,18,19,20,21,22-Dodecahydroxy-9,15,24,27-tetraoxo-9,10a,11,12a,13,15,24,25a,25b,27-decahydrodibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':4,5]pyrano[3,2- b][1,5]dioxacycloundecin-11-yl 2-[5-({[(10aR,11R,12aR,25aR,25bS)-2,3,4,5,6,7,17,18,19,20,21,22-dodecahydroxy-9,15,24,27-tetraoxo-9,10a,11,12a,13,15,24,25a,25b,27-decahydrodibenzo[g,i]dibenzo[6',7':8', 9'][1,4]dioxecino[2',3':4,5]pyrano[3,2-b][1, Chemical and Physical Properties

Names and Identifiers

    • a-D-Glucopyranose, cyclic2,3:4,6-bis[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]1-[2-[5-[[[2,3:4,6-bis-O-[[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-diyl]dicarbonyl]-a-D-glucopyranosyl]oxy]carbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate]
    • a-D-Glucopyranose, cyclic2,3:4,6-bis[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]1-[2-[5-[[[2,3:4,6-bis
    • Agrimoniin
    • C10210
    • Q27105176
    • .alpha.-D-Glucopyranose, cyclic 2,3:4,6-bis(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 1-(2-(5-(((2,3:4,6-bis-O-((4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-diyl)dicarbonyl)-.alpha.-D-glucopyranosyl)oxy)carbonyl)-2,3-dihydroxyphenoxy)-3,4,5-trihydroxybenzoate), stereoisomer
    • [dodecahydroxy(tetraoxo)[?]yl] 2-[5-[dodecahydroxy(tetraoxo)[?]yl]oxycarbonyl-2,3-dihydroxy-phenoxy]-3,4,5-trihydroxy-benzoate
    • (10aR,11R,12aR,25aR,25bS)-2,3,4,5,6,7,17,18,19,20,21,22-Dodecahydroxy-9,15,24,27-tetraoxo-9,10a,11,1
    • Dibenzo[g,i]dibenzo[6′,7′:8′,9′][1,4]dioxecino[2′,3′:4,5]pyrano[3,2-b][1,5]dioxacycloundecin, α-D-glucopyranose deriv. (ZCI)
    • α-D-Glucopyranose, cyclic 2,3:4,6-bis(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate) 1-[2-[5-[[[2,3:4,6-bis-O-[(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-diyl)dicarbonyl]-α-D-glucopyranosyl]oxy]carbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate], stereoisomer (ZCI)
    • D85140
    • 82203-01-8
    • CHEMBL524674
    • CS-0214058
    • HY-N9931
    • CHEBI:581177
    • alpha-D-Glucopyranose, cyclic 2,3:4,6-bis(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 1-(2-(5-(((2,3:4,6-bis-O-((4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-diyl)dicarbonyl)-alpha-D-glucopyranosyl)oxy)carbonyl)-2,3-dihydroxyphenoxy)-3,4,5-trihydroxybenzoate), stereoisomer
    • DTXSID401318375
    • (10aR,11R,12aR,25aR,25bS)-2,3,4,5,6,7,17,18,19,20,21,22-Dodecahydroxy-9,15,24,27-tetraoxo-9,10a,11,12a,13,15,24,25a,25b,27-decahydrodibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':4,5]pyrano[3,2- b][1,5]dioxacycloundecin-11-yl 2-[5-({[(10aR,11R,12aR,25aR,25bS)-2,3,4,5,6,7,17,18,19,20,21,22-dodecahydroxy-9,15,24,27-tetraoxo-9,10a,11,12a,13,15,24,25a,25b,27-decahydrodibenzo[g,i]dibenzo[6',7':8', 9'][1,4]dioxecino[2',3':4,5]pyrano[3,2-b][1,
    • Inchi: 1S/C82H54O52/c83-24-1-14(71(112)133-81-69-67(129-76(117)19-7-29(88)50(98)59(107)41(19)43-21(78(119)131-69)9-31(90)52(100)61(43)109)65-35(125-81)12-122-72(113)15-3-25(84)46(94)55(103)37(15)39-17(74(115)127-65)5-27(86)48(96)57(39)105)2-34(45(24)93)124-64-23(11-33(92)54(102)63(64)111)80(121)134-82-70-68(130-77(118)20-8-30(89)51(99)60(108)42(20)44-22(79(120)132-70)10-32(91)53(101)62(44)110)66-36(126-82)13-123-73(114)16-4-26(85)47(95)56(104)38(16)40-18(75(116)128-66)6-28(87)49(97)58(40)106/h1-11,35-36,65-70,81-111H,12-13H2
    • InChI Key: BZAFROBDXRJYTQ-UHFFFAOYSA-N
    • SMILES: O=C1C2C(=C(C(=C(C=2)O)O)O)C2C(=CC(=C(C=2O)O)O)C(=O)OC2C(OC(C3C2OC(=O)C2C(=C(C(=C(C=2)O)O)O)C2C(=CC(=C(C=2O)O)O)C(=O)O3)OC(C2C=C(OC3C(C(OC4C5C(OC(C6C(C7C(C(O5)=O)=CC(O)=C(O)C=7O)=C(O)C(O)=C(O)C=6)=O)C5C(COC(C6C(C7C(C(O5)=O)=CC(O)=C(O)C=7O)=C(O)C(O)=C(O)C=6)=O)O4)=O)=CC(O)=C(O)C=3O)C(O)=C(O)C=2)=O)CO1

Computed Properties

  • Exact Mass: 1870.1581119g/mol
  • Monoisotopic Mass: 1870.1581119g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 29
  • Hydrogen Bond Acceptor Count: 52
  • Heavy Atom Count: 134
  • Rotatable Bond Count: 8
  • Complexity: 4320
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 877
  • XLogP3: 4.2

(10aR,11R,12aR,25aR,25bS)-2,3,4,5,6,7,17,18,19,20,21,22-Dodecahydroxy-9,15,24,27-tetraoxo-9,10a,11,12a,13,15,24,25a,25b,27-decahydrodibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':4,5]pyrano[3,2- b][1,5]dioxacycloundecin-11-yl 2-[5-({[(10aR,11R,12aR,25aR,25bS)-2,3,4,5,6,7,17,18,19,20,21,22-dodecahydroxy-9,15,24,27-tetraoxo-9,10a,11,12a,13,15,24,25a,25b,27-decahydrodibenzo[g,i]dibenzo[6',7':8', 9'][1,4]dioxecino[2',3':4,5]pyrano[3,2-b][1, Pricemore >>

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(10aR,11R,12aR,25aR,25bS)-2,3,4,5,6,7,17,18,19,20,21,22-Dodecahydroxy-9,15,24,27-tetraoxo-9,10a,11,12a,13,15,24,25a,25b,27-decahydrodibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':4,5]pyrano[3,2- b][1,5]dioxacycloundecin-11-yl 2-[5-({[(10aR,11R,12aR,25aR,25bS)-2,3,4,5,6,7,17,18,19,20,21,22-dodecahydroxy-9,15,24,27-tetraoxo-9,10a,11,12a,13,15,24,25a,25b,27-decahydrodibenzo[g,i]dibenzo[6',7':8', 9'][1,4]dioxecino[2',3':4,5]pyrano[3,2-b][1, Related Literature

82203-01-8 ((10aR,11R,12aR,25aR,25bS)-2,3,4,5,6,7,17,18,19,20,21,22-Dodecahydroxy-9,15,24,27-tetraoxo-9,10a,11,12a,13,15,24,25a,25b,27-decahydrodibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':4,5]pyrano[3,2- b][1,5]dioxacycloundecin-11-yl 2-[5-({[(10aR,11R,12aR,25aR,25bS)-2,3,4,5,6,7,17,18,19,20,21,22-dodecahydroxy-9,15,24,27-tetraoxo-9,10a,11,12a,13,15,24,25a,25b,27-decahydrodibenzo[g,i]dibenzo[6',7':8', 9'][1,4]dioxecino[2',3':4,5]pyrano[3,2-b][1,) Related Products

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