TPCN03774

Name Desculiosides ??d
Molecular Formula C46H72O17
Molecular Weight 897.07
CAS Registry Number 886840-41-1
SMILES CC=C(C)C(=O)OC1C(O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C7O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Biebersteiniaceae Aesculus pavia Fruits 0.000743% Phytochemistry 67, 784-794 (2006). 10.1016/j.phytochem.2006.01.017
Properties
HBA 17 HBD 10
HeavyAtoms 63 AlogP 0.92
TPSA 282.59 RotatableBonds 10
FractionCSP3 0.87 Rings 7
AromaticRings 0 AliphaticRings 7