TPCN03247

Name Wallichiioid A
Molecular Formula C22H28O8
Molecular Weight 420.46
CAS Registry Number 2054315-37-4
SMILES CC(=O)OC12C(O)C(C)C3(O)C(C(=O)C(CO)=CC4(O)C(=O)C(C)=CC43)C1C2(C)C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Euphorbiaceae Croton tiglium Leaves 0.000009% Org Biomol Chem 17, 195-202 (2018). 10.1039/c8ob02519c
Properties
HBA 8 HBD 4
HeavyAtoms 30 AlogP -0.32
TPSA 141.36 RotatableBonds 2
FractionCSP3 0.68 Rings 4
AromaticRings 0 AliphaticRings 4