TPCN05570

Name Asiaticoside I
Molecular Formula C35H56O10
Molecular Weight 636.82
CAS Registry Number 1431527-27-3
SMILES CC1CC(C(O)C(C)(C)O)OC(=O)C1C1(C)CCC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CCC3C1(C)C=O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Cimicifuga dahurica Aerial parts 0.000136% J Asian Nat Prod Res. 2019. 1-6. 10.1080/10286020.2019.1638370
Properties
HBA 10 HBD 5
HeavyAtoms 45 AlogP 2.74
TPSA 162.98 RotatableBonds 6
FractionCSP3 0.94 Rings 6
AromaticRings 0 AliphaticRings 6