TPCN03389

Name Caryopteriside F
Molecular Formula C23H28O13
Molecular Weight 512.46
CAS Registry Number 2738369-78-1
SMILES COc1cc(C(=O)OCC2OC(OC3OC=CC4(O)C(O)C5OC5(C)C34)C(O)C(O)C2O)ccc1O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Caryopteris glutinosa Whole plants 0.000027% None 10.1016/j.phytochem.2020.112534
Properties
HBA 13 HBD 6
HeavyAtoms 36 AlogP -1.87
TPSA 197.13 RotatableBonds 6
FractionCSP3 0.61 Rings 5
AromaticRings 1 AliphaticRings 4