TPCN03085

Name Crotocascarins O
Molecular Formula C25H34O9
Molecular Weight 478.54
CAS Registry Number 2247529-70-8
SMILES C=C1C(O)CC2(O)OC(=O)C(C)=C2C2C1C13OC1(CC(C)C3OC(=O)C(C)CC)C(O)C2(C)O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Euphorbiaceae Croton cascarilloides Stems 0.000074% Chem Pharm Bull (Tokyo) 64, 1492-1498 (2016). 10.1248/cpb.c16-00500
Properties
HBA 9 HBD 4
HeavyAtoms 34 AlogP 0.73
TPSA 146.05 RotatableBonds 3
FractionCSP3 0.76 Rings 5
AromaticRings 0 AliphaticRings 5