Cas no 138079-63-7 (6-deoxy-1-O-(3-{[6-deoxyhexopyranosyl-(1->2)hexopyranosyl-(1->3)-[pentopyranosyl-(1->4)]pentopyranosyl-(1->2)-[pentopyranosyl-(1->4)]hexopyranosyl]oxy}-21-hydroxy-28-oxoolean-12-en-28-yl)hexopyranose)

6-deoxy-1-O-(3-{[6-deoxyhexopyranosyl-(1->2)hexopyranosyl-(1->3)-[pentopyranosyl-(1->4)]pentopyranosyl-(1->2)-[pentopyranosyl-(1->4)]hexopyranosyl]oxy}-21-hydroxy-28-oxoolean-12-en-28-yl)hexopyranose structure
138079-63-7 structure
Product Name:6-deoxy-1-O-(3-{[6-deoxyhexopyranosyl-(1->2)hexopyranosyl-(1->3)-[pentopyranosyl-(1->4)]pentopyranosyl-(1->2)-[pentopyranosyl-(1->4)]hexopyranosyl]oxy}-21-hydroxy-28-oxoolean-12-en-28-yl)hexopyranose
CAS No:138079-63-7
MF:C69H112O34
MW:1485.6072063446
CID:1258175
PubChem ID:178435
Update Time:2025-04-20

6-deoxy-1-O-(3-{[6-deoxyhexopyranosyl-(1->2)hexopyranosyl-(1->3)-[pentopyranosyl-(1->4)]pentopyranosyl-(1->2)-[pentopyranosyl-(1->4)]hexopyranosyl]oxy}-21-hydroxy-28-oxoolean-12-en-28-yl)hexopyranose Chemical and Physical Properties

Names and Identifiers

    • 6-deoxy-1-O-(3-{[6-deoxyhexopyranosyl-(1->2)hexopyranosyl-(1->3)-[pentopyranosyl-(1->4)]pentopyranosyl-(1->2)-[pentopyranosyl-(1->4)]hexopyranosyl]oxy}-21-hydroxy-28-oxoolean-12-en-28-yl)hexopyranose
    • LogP
    • (3,4,5-trihydroxy-6-methyloxan-2-yl) 10-[3-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxy-
    • 6-deoxy-1-O-(3-{[6-deoxyhexopyranosyl-(1->2)hexopyranosyl-(1->3)-[pentopyranosyl-(1->4)]pentopyranosyl-(1->2)-[pentopyranosyl
    • 138079-63-7
    • Mimonoside C
    • Inchi： 1S/C69H112O34/c1-25-38(75)43(80)48(85)59(93-25)102-54-45(82)42(79)31(20-70)95-62(54)100-53-33(97-56-46(83)40(77)29(72)22-90-56)24-92-58(51(53)88)101-55-50(87)52(99-57-47(84)41(78)30(73)23-91-57)32(21-71)96-61(55)98-37-13-14-66(7)34(65(37,5)6)12-15-68(9)35(66)11-10-27-28-18-64(3,4)36(74)19-69(28,17-16-67(27,68)8)63(89)103-60-49(86)44(81)39(76)26(2)94-60/h10,25-26,28-62,70-88H,11-24H2,1-9H3
    • InChI Key： ZAQBIKQZWUKFJU-UHFFFAOYSA-N
    • SMILES： O(C1C(C(C(C(CO)O1)OC1C(C(C(CO1)O)O)O)O)OC1C(C(C(CO1)OC1C(C(C(CO1)O)O)O)OC1C(C(C(C(CO)O1)O)O)OC1C(C(C(C(C)O1)O)O)O)O)C1CCC2(C)C(CCC3(C)C4(C)CCC5(C(=O)OC6C(C(C(C(C)O6)O)O)O)CC(C(C)(C)CC5C4=CCC32)O)C1(C)C

Computed Properties

  • Exact Mass: 1484.70356
  • Monoisotopic Mass: 1484.7035006g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 19
  • Hydrogen Bond Acceptor Count: 34
  • Heavy Atom Count: 103
  • Rotatable Bond Count: 17
  • Complexity: 2930
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 41
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -4.6
  • Topological Polar Surface Area: 531?2

Experimental Properties

  • PSA: 530.66

6-deoxy-1-O-(3-{[6-deoxyhexopyranosyl-(1->2)hexopyranosyl-(1->3)-[pentopyranosyl-(1->4)]pentopyranosyl-(1->2)-[pentopyranosyl-(1->4)]hexopyranosyl]oxy}-21-hydroxy-28-oxoolean-12-en-28-yl)hexopyranose Related Literature

Related Categories

138079-63-7 (6-deoxy-1-O-(3-{[6-deoxyhexopyranosyl-(1->2)hexopyranosyl-(1->3)-[pentopyranosyl-(1->4)]pentopyranosyl-(1->2)-[pentopyranosyl-(1->4)]hexopyranosyl]oxy}-21-hydroxy-28-oxoolean-12-en-28-yl)hexopyranose) Related Products

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