Cas no 117210-16-9 (β-D-Glucopyranosiduronic acid, (3β,4β,21β,22β)-21,23-dihydroxy-22-[[3-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-α-L-arabinopyranosyl]oxy]olean-12-en-3-yl 2-O-α-L-arabinopyranosyl-)

β-D-Glucopyranosiduronic acid, (3β,4β,21β,22β)-21,23-dihydroxy-22-[[3-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-α-L-arabinopyranosyl]oxy]olean-12-en-3-yl 2-O-α-L-arabinopyranosyl- structure
117210-16-9 structure
Product Name:β-D-Glucopyranosiduronic acid, (3β,4β,21β,22β)-21,23-dihydroxy-22-[[3-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-α-L-arabinopyranosyl]oxy]olean-12-en-3-yl 2-O-α-L-arabinopyranosyl-
CAS No:117210-16-9
MF:C60H92O27
MW:1245.35630226135
CID:168529
PubChem ID:14186194
Update Time:2024-03-01

β-D-Glucopyranosiduronic acid, (3β,4β,21β,22β)-21,23-dihydroxy-22-[[3-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-α-L-arabinopyranosyl]oxy]olean-12-en-3-yl 2-O-α-L-arabinopyranosyl- Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranosiduronic acid, (3b,4b,21b,22b)-21,23-dihydroxy-22-[[3-O-(2,3,4,6-tetra-O-acetyl-b-D-glucopyranosyl)-a-L-arabinopyranosyl]oxy]olean-12-en-3-yl2-O-a-L-arabinopyranosyl-
    • SoyasaponinAh
    • β-D-Glucopyranosiduronic acid, (3β,4β,21β,22β)-21,23-dihydroxy-22-[[3-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-α-L-arabinopyranosyl]oxy]olean-12-en-3-yl 2-O-α-L-arabinopyranosyl-
    • Soyasaponin Ah
    • DTXSID101317273
    • 117210-16-9
    • Acetylsoyasaponin A3
    • Inchi: 1S/C60H92O27/c1-25(62)76-23-33-43(79-26(2)63)46(80-27(3)64)47(81-28(4)65)54(82-33)84-42-32(67)22-78-52(41(42)72)87-49-48(73)55(5,6)20-30-29-12-13-35-57(8)16-15-36(58(9,24-61)34(57)14-17-60(35,11)59(29,10)19-18-56(30,49)7)83-53-45(39(70)38(69)44(85-53)50(74)75)86-51-40(71)37(68)31(66)21-77-51/h12,30-49,51-54,61,66-73H,13-24H2,1-11H3,(H,74,75)/t30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40+,41+,42-,43+,44-,45+,46-,47+,48-,49+,51-,52-,53+,54-,56+,57-,58+,59+,60+/m0/s1
    • InChI Key: UDWZSXHXZXHZJR-MJJRQYFXSA-N
    • SMILES: O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O1)O)O)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O)[C@H]1CC[C@@]2(C)[C@H]([C@@]1(C)CO)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C)[C@@H]([C@@H](C(C)(C)C[C@H]4C3=CC[C@@H]12)O)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](COC(C)=O)O1)OC(C)=O)OC(C)=O)OC(C)=O)O

Computed Properties

  • Exact Mass: 1244.58259765g/mol
  • Monoisotopic Mass: 1244.58259765g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 10
  • Hydrogen Bond Acceptor Count: 27
  • Heavy Atom Count: 87
  • Rotatable Bond Count: 19
  • Complexity: 2570
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 29
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 398?2
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