TPCN00436

Name Suffruyabiosides A
Molecular Formula C36H42O18
Molecular Weight 762.71
CAS Registry Number 1415968-06-7
SMILES CC12CC3(O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21OC1OC(CO)C(OC2OC(COC(=O)c3ccc(O)cc3)C(O)C(O)C2O)C(O)C1O
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Paeoniaceae Paeonia suffruticosa Roots 0.000280% Molecules, 2012, 17, 4915-4923. 10.3390/molecules17054915
Properties
HBA 18 HBD 8
HeavyAtoms 54 AlogP -1.96
TPSA 269.82 RotatableBonds 11
FractionCSP3 0.61 Rings 10
AromaticRings 2 AliphaticRings 8