TPCN05506

Name 3???O-{??-D-xylopyranosyl-(1 ?? 4)-[??-D-xylopyranosyl-(1 ?? 2)]-??-Dglucopyranosyl}-2??-hydroxyolean-12-en-28-O-[??-D-glucopyranosyl-(1 ?? 6)-??-D-glucopyranosyl-(1 ?? 2)-??-L-rhamnopyranosyl] ester
Molecular Formula C64H104O31
Molecular Weight 1369.51
CAS Registry Number 1384896-27-8
SMILES CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(CO)C(OC7OCC(O)C(O)C7O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C2(C)CC3)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Erythrophleum fordii Leaves 0.000365% Planta Med. 2011. 77, 1631-1638. 10.1055/s-0030-1270992
Properties
HBA 31 HBD 18
HeavyAtoms 95 AlogP -5.11
TPSA 491.97 RotatableBonds 15
FractionCSP3 0.95 Rings 11
AromaticRings 0 AliphaticRings 11