Cas no 135247-95-9 (Pulchinenoside B)

Pulchinenoside B structure
Pulchinenoside B structure
Product Name:Pulchinenoside B
CAS No:135247-95-9
MF:C53H86O22
MW:1075.23675966263
CID:836164
PubChem ID:14590080
Update Time:2024-11-02

Pulchinenoside B Chemical and Physical Properties

Names and Identifiers

    • Pulchinenoside B
    • Pulchinenoside B?
    • Anemoside B
    • [6-[[3,4-Dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3
    • Anemoside B4
    • B0005-464603
    • [6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 9-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
    • 129741-57-7
    • Pulchinenoside B4
    • Pulchinenoside B4;Pulchinenoside C
    • BCP11499
    • 135247-95-9
    • CS-5693
    • HY-N0205
    • AKOS037514547
    • CHEMBL450226
    • Lup-20(29)-en-28-oic acid, 3-[[2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl]oxy]-23-hydroxy-, O-6-deoxy-alpha-L-mannopyranosyl-(1-->4)-O-beta-D-glucopyranosyl-(1-->6)-beta-D-glucopyranosyl ester, (3beta,4alpha)-
    • MS-32062
    • Pulchinenoside C
    • Inchi： 1S/C53H86O22/c1-22(2)24-10-15-53(48(67)75-47-41(65)37(61)35(59)28(72-47)20-69-44-42(66)38(62)43(27(18-54)71-44)74-46-40(64)36(60)33(57)23(3)70-46)17-16-51(6)25(32(24)53)8-9-30-49(4)13-12-31(73-45-39(63)34(58)26(56)19-68-45)50(5,21-55)29(49)11-14-52(30,51)7/h23-47,54-66H,1,8-21H2,2-7H3
    • InChI Key： DMCLHHBLEQZLOC-UHFFFAOYSA-N
    • SMILES： O(C1C(C(C(CO1)O)O)O)C1CCC2(C)C(C1(C)CO)CCC1(C)C2CCC2C3C(C(=C)C)CCC3(C(=O)OC3C(C(C(C(COC4C(C(C(C(CO)O4)OC4C(C(C(C(C)O4)O)O)O)O)O)O3)O)O)O)CCC12C

Computed Properties

  • Exact Mass: 1220.61898316g/mol
  • Monoisotopic Mass: 1220.61898316g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 13
  • Hydrogen Bond Acceptor Count: 22
  • Heavy Atom Count: 75
  • Rotatable Bond Count: 13
  • Complexity: 2040
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 35
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 354
  • XLogP3: -1.2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.45±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Insuluble (2.9E-3 g/L) (25 oC),

Pulchinenoside B Pricemore >>

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