TPCN03506

Name ?phlomoideside A
Molecular Formula C32H46O12
Molecular Weight 622.71
CAS Registry Number 2562383-54-2
SMILES COC(=O)C1(O)CCOC1OC1C(OC(=O)C2(C)CCCC3(C)C(CCc4ccoc4)=C(C)CCC23)OC(CO)C(O)C1O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Phlomoides betonicoides Roots 0.000086% None 10.1016/j.phytochem.2020.112325
Properties
HBA 12 HBD 4
HeavyAtoms 44 AlogP 2.15
TPSA 174.35 RotatableBonds 9
FractionCSP3 0.75 Rings 5
AromaticRings 1 AliphaticRings 4