Cas no 117230-35-0 (b-D-Glucopyranosiduronic acid, (3b,4b,21b,22b)-21,23-dihydroxy-22-[[3-O-(2,3,4-tri-O-acetyl-b-D-xylopyranosyl)-a-L-arabinopyranosyl]oxy]olean-12-en-3-yl2-O-a-L-arabinopyranosyl-)

b-D-Glucopyranosiduronic acid, (3b,4b,21b,22b)-21,23-dihydroxy-22-[[3-O-(2,3,4-tri-O-acetyl-b-D-xylopyranosyl)-a-L-arabinopyranosyl]oxy]olean-12-en-3-yl2-O-a-L-arabinopyranosyl- structure
117230-35-0 structure
Product Name:b-D-Glucopyranosiduronic acid, (3b,4b,21b,22b)-21,23-dihydroxy-22-[[3-O-(2,3,4-tri-O-acetyl-b-D-xylopyranosyl)-a-L-arabinopyranosyl]oxy]olean-12-en-3-yl2-O-a-L-arabinopyranosyl-
CAS No:117230-35-0
MF:C57H88O25
MW:1173.29364109039
CID:194385
PubChem ID:14186223
Update Time:2024-03-01

b-D-Glucopyranosiduronic acid, (3b,4b,21b,22b)-21,23-dihydroxy-22-[[3-O-(2,3,4-tri-O-acetyl-b-D-xylopyranosyl)-a-L-arabinopyranosyl]oxy]olean-12-en-3-yl2-O-a-L-arabinopyranosyl- Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranosiduronic acid, (3b,4b,21b,22b)-21,23-dihydroxy-22-[[3-O-(2,3,4-tri-O-acetyl-b-D-xylopyranosyl)-a-L-arabinopyranosyl]oxy]olean-12-en-3-yl2-O-a-L-arabinopyranosyl-
    • SoyasaponinAg
    • Soyasaponin Ag
    • DTXSID601317404
    • 117230-35-0
    • Acetylsoyasaponin A6
    • Inchi： 1S/C57H88O25/c1-24(59)75-31-22-74-50(44(77-26(3)61)41(31)76-25(2)60)79-40-30(63)21-73-49(39(40)68)82-46-45(69)52(4,5)19-28-27-11-12-33-54(7)15-14-34(55(8,23-58)32(54)13-16-57(33,10)56(27,9)18-17-53(28,46)6)78-51-43(37(66)36(65)42(80-51)47(70)71)81-48-38(67)35(64)29(62)20-72-48/h11,28-46,48-51,58,62-69H,12-23H2,1-10H3,(H,70,71)/t28-,29+,30+,31-,32?,33?,34?,35+,36-,37+,38-,39-,40+,41+,42+,43-,44-,45-,46+,48+,49+,50+,51+,53-,54+,55?,56-,57-/m1/s1
    • InChI Key： NYYNWFSJUAJYCV-VDONYSFHSA-N
    • SMILES： O(C1C(C2[C@](C)(CC1)C1[C@@]([C@]3(C(=CC1)[C@@]1([C@@]([C@@H](O[C@@H]4OC[C@H](O)[C@H](O[C@@H]5OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)[C@H]4O)[C@@H](O)C(C1)(C)C)(C)CC3)[H])C)(C)CC2)(C)CO)[C@H]1O[C@H](C(O)=O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O

Computed Properties

  • Exact Mass: 1172.56146829g/mol
  • Monoisotopic Mass: 1172.56146829g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 10
  • Hydrogen Bond Acceptor Count: 25
  • Heavy Atom Count: 82
  • Rotatable Bond Count: 16
  • Complexity: 2390
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 28
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 372?2

b-D-Glucopyranosiduronic acid, (3b,4b,21b,22b)-21,23-dihydroxy-22-[[3-O-(2,3,4-tri-O-acetyl-b-D-xylopyranosyl)-a-L-arabinopyranosyl]oxy]olean-12-en-3-yl2-O-a-L-arabinopyranosyl- Related Literature

117230-35-0 (b-D-Glucopyranosiduronic acid, (3b,4b,21b,22b)-21,23-dihydroxy-22-[[3-O-(2,3,4-tri-O-acetyl-b-D-xylopyranosyl)-a-L-arabinopyranosyl]oxy]olean-12-en-3-yl2-O-a-L-arabinopyranosyl-) Related Products

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