TPCN03509

Name ?phlomoideside D
Molecular Formula C33H48O14
Molecular Weight 668.73
CAS Registry Number 2562383-57-5
SMILES COC(=O)COC(OC1C(OC(=O)C2(C)CCCC3(C)C(CCc4ccoc4)=C(C)CCC23)OC(CO)C(O)C1O)C(O)C(=O)OC
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Phlomoides betonicoides Roots 0.000036% None 10.1016/j.phytochem.2020.112325
Properties
HBA 14 HBD 4
HeavyAtoms 47 AlogP 1.55
TPSA 200.65 RotatableBonds 13
FractionCSP3 0.73 Rings 4
AromaticRings 1 AliphaticRings 3