TPCN03758

Name Saponin 3
Molecular Formula C48H78O19
Molecular Weight 959.13
CAS Registry Number 1268696-95-2
SMILES CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Symplocaceae Symplocos lancifolia Leaves 0.000817% J Nat Prod, 2011, 74, 163-170. 10.1021/np100502y
Symplocaceae Symplocos lancifolia Leaves 0.000817% J Nat Prod 74, 163-168 (2011) 10.1021/np100502y
Symplocaceae Symplocos lancifolia Leaves 0.000817% J Nat Prod, 2011, 74, 163-168. 10.1021/np100502y
Properties
HBA 19 HBD 12
HeavyAtoms 67 AlogP -1.03
TPSA 315.21 RotatableBonds 9
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8