TPCN05597
Name | ??-D-Glucopyranoside, (3??,21??,22??)-28-[[2-O-(6-deoxy-??-L-mannopyranosyl)-??-D-glucopyranosyl]oxy]-21,22-dihydroxyolean-12-en-3-yl 6-O-??-D-glucopyranosyl-, 2-(2-methyl-2-butenoate) (ACI) |
Molecular Formula | C59H96O24 |
Molecular Weight | 1189.39 |
CAS Registry Number | 1239977-71-9 |
SMILES | CC=C(C)C(=O)OC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C(O)C(O)C5(COC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC34C)C2(C)C)OC(COC2OC(CO)C(O)C(O)C2O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Sapindaceae | Xanthoceras sorbifolia | Husks | 0.000093% | J Nat Med. 2010. 64, 80-84. | 10.1007/s11418-009-0359-z |
Properties
HBA | 24 | HBD | 14 |
HeavyAtoms | 83 | AlogP | -1.08 |
TPSA | 383.36 | RotatableBonds | 14 |
FractionCSP3 | 0.92 | Rings | 9 |
AromaticRings | 0 | AliphaticRings | 9 |