TPCN05142

Name Oleanazuroside 1
Molecular Formula C42H68O16
Molecular Weight 828.99
CAS Registry Number 1226854-08-5
SMILES CC1(C)CC2C3=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1OC1OC(CO)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Boraginaceae Anchusa italica Whole plants 0.000255% Nat Prod Res 31, 959-965 (2017) 10.1080/14786419.2016.1258557
Properties
HBA 16 HBD 11
HeavyAtoms 58 AlogP -0.20
TPSA 276.52 RotatableBonds 8
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7