TPCN03717

Name Divaroside
Molecular Formula C42H64O15
Molecular Weight 808.96
CAS Registry Number 107903-19-5
SMILES C=C(C)C1CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CC4OC(=O)CC(O)C5(C)C(C(=C)C)CCC3(C)C45)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Biebersteiniaceae Aesculus turbinata Seeds 0.001000% J Asian Nat Prod Res, 2008, 10, 259-265. 10.1080/10286020701604904
Properties
HBA 15 HBD 8
HeavyAtoms 57 AlogP 0.85
TPSA 242.13 RotatableBonds 8
FractionCSP3 0.86 Rings 7
AromaticRings 0 AliphaticRings 7