TPCN03195

Name Crotocascarins Q
Molecular Formula C25H32O7
Molecular Weight 444.52
CAS Registry Number 2247529-72-0
SMILES C=C1C2C3=C(C)C(=O)OC3CC(O)C(=C)C2C23OC2(CC(C)C3OC(=O)C(C)CC)C1O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Euphorbiaceae Croton cascarilloides Stems 0.000028% Chem Pharm Bull (Tokyo) 64, 1492-1498 (2016). 10.1248/cpb.c16-00500
Properties
HBA 7 HBD 2
HeavyAtoms 32 AlogP 2.22
TPSA 105.59 RotatableBonds 3
FractionCSP3 0.68 Rings 5
AromaticRings 0 AliphaticRings 5