TPCN03799

Name Clinopodisides D
Molecular Formula C48H76O19
Molecular Weight 957.12
CAS Registry Number 172335-94-3
SMILES CC1OC(OC2CCC3(C)C4=CC(=O)C56OCC7(CCC(C)(C)CC75)C(O)CC6(C)C4(C)CCC3C2(C)CO)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Verbenaceae Clerodendrum philippinum Whole plants 0.000640% Nat Prod Res 29, 1228-1234 (2015). 10.1080/14786419.2015.1023725
Properties
HBA 19 HBD 11
HeavyAtoms 67 AlogP -1.08
TPSA 304.21 RotatableBonds 9
FractionCSP3 0.94 Rings 9
AromaticRings 0 AliphaticRings 9