TPCN03520

Name Barbatin F
Molecular Formula C32H38O8
Molecular Weight 550.65
CAS Registry Number 2305051-25-4
SMILES CC1=CCCC2C1(C)C(OC(=O)C(=O)C(C)C)C(OC(=O)c1ccccc1)C(C)(O)C2(C)C=CC1=CC(=O)OC1
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Scutellaria barbata Whole plants 0.000071% Natural Product Research, 34(10), 1345-1351 10.1080/14786419.2018.1514399
Properties
HBA 8 HBD 1
HeavyAtoms 40 AlogP 4.52
TPSA 116.20 RotatableBonds 7
FractionCSP3 0.50 Rings 4
AromaticRings 1 AliphaticRings 3