TPCN03511

Name ?phlomoideside F
Molecular Formula C32H44N2O11
Molecular Weight 632.71
CAS Registry Number 2562383-59-7
SMILES CC1=C(CCc2ccoc2)C2(C)CCCC(C)(C(=O)OC3OC(CO)C(O)C(O)C3OC3OCCC34NC(=O)NC4=O)C2CC1
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Phlomoides betonicoides Roots 0.000072% None 10.1016/j.phytochem.2020.112325
Properties
HBA 13 HBD 5
HeavyAtoms 45 AlogP 1.83
TPSA 186.02 RotatableBonds 8
FractionCSP3 0.72 Rings 6
AromaticRings 1 AliphaticRings 5