TPCN05683

Name Madecassic acid
Molecular Formula C30H48O6
Molecular Weight 504.71
CAS Registry Number 18449-41-7
SMILES CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Centella asiatica Leaves 0.013333% Planta Med. 2010 Jul;76(10):1018-21. 10.1055/s-0029-1240864.
Apiaceae Centella asiatica Aerial parts 0.000500% Pharm Biol. 2000;38(4):262-7. 10.1076/1388-0209(200009)3841-AFT262.
Properties
HBA 6 HBD 5
HeavyAtoms 36 AlogP 4.00
TPSA 118.22 RotatableBonds 2
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5