TPCN04430

Name Asiaticoside B
Molecular Formula C48H78O20
Molecular Weight 975.13
CAS Registry Number 125265-68-1
SMILES CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CC(O)C(O)C(C)(CO)C7C(O)CC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Centella asiatica Aerial parts 0.000680% Chem Pharm Bull (Tokyo) 49(10): 1368-1371. 10.1248/cpb.49.1368
Properties
HBA 20 HBD 13
HeavyAtoms 68 AlogP -1.92
TPSA 335.44 RotatableBonds 9
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8