TPCN04181

Name Asiaticoside
Molecular Formula C48H78O19
Molecular Weight 959.13
CAS Registry Number 16830-15-2
SMILES CC1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Centella asiatica Leaves 0.588889% Planta Med. 2010 Jul;76(10):1018-21. 10.1055/s-0029-1240864.
Apiaceae Centella asiatica Aerial parts 0.073000% Chem Pharm Bull (Tokyo) 49(10): 1368-1371. 10.1248/cpb.49.1368
Lardizabalaceae Akebia trifoliata Peels 0.011600% Chem Pharm Bull (Tokyo) . 2012;60(10):1264-74 10.1248/cpb.c12-00448
Lardizabalaceae Akebia trifoliata Stems 0.000333% Phytochemistry. 2006. 67, 2697-2705. 10.1016/j.phytochem.2006.09.003.
Properties
HBA 19 HBD 12
HeavyAtoms 67 AlogP -1.03
TPSA 315.21 RotatableBonds 9
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8