TPCN05175

Name Oleanazuroside 2
Molecular Formula C42H68O15
Molecular Weight 812.99
CAS Registry Number 1226854-09-6
SMILES CC1(C)CC2C3=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Boraginaceae Anchusa italica Whole plants 0.000139% Nat Prod Res 31, 959-965 (2017) 10.1080/14786419.2016.1258557
Properties
HBA 15 HBD 10
HeavyAtoms 57 AlogP 0.82
TPSA 256.29 RotatableBonds 7
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7