TPCN06272

Name Clinopodiside VI
Molecular Formula C36H58O9
Molecular Weight 634.85
CAS Registry Number 2241863-11-4
SMILES CC1(C)CCC2(CO)C(O)CC3(C)C(=CC=C4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Clinopodium polycephalum Aerial parts 0.000079% J Asian Nat Prod Res . 2017 Jul;19(7):697-703 10.1080/10286020.2016.1254199
Properties
HBA 9 HBD 7
HeavyAtoms 45 AlogP 2.83
TPSA 160.07 RotatableBonds 5
FractionCSP3 0.89 Rings 6
AromaticRings 0 AliphaticRings 6