TPCN04355

Name 3-O-??-D-ribopyranosyl(1??3)-??-L-rhamnopyranosyl(1??2)??-D-xylopyranosyl hederagenin
Molecular Formula C47H76O17
Molecular Weight 913.11
CAS Registry Number 2170661-84-2
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)CO)OC(CO)C(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Clematis uncinata Roots 0.001200% J Asian Nat Prod Res 17(12): 1153-1159. 10.1080/10286020.2015.1117453
Properties
HBA 17 HBD 10
HeavyAtoms 64 AlogP 1.35
TPSA 274.75 RotatableBonds 9
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8