TPCN03510

Name ?phlomoideside E
Molecular Formula C34H48O13
Molecular Weight 664.75
CAS Registry Number 2562383-58-6
SMILES COC(=O)C1(O)CC(OC2C(OC(=O)C3(C)CCCC4(C)C(CCc5ccoc5)=C(C)CCC34)OC(CO)C(O)C2O)OCCC1=O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Phlomoides betonicoides Roots 0.000026% None 10.1016/j.phytochem.2020.112325
Properties
HBA 13 HBD 4
HeavyAtoms 47 AlogP 2.11
TPSA 191.42 RotatableBonds 9
FractionCSP3 0.74 Rings 5
AromaticRings 1 AliphaticRings 4