GD036669

Name:

None

Formula:

C56H90O25

Smiles:

CC(=O)OC[C@]12[C@H](O)[C@@H](OC(C)=O)C(C)(C)C[C@@H]1C1=CC[C@@H]3[C@]4(C)CC[C@H](O[C@@H]5OC[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@H]4CC[C@@]3(C)[C@@]1(C)C[C@H]2O

Aglycone:

CC(=O)OCC12C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C1CC(C)(C)C(OC(C)=O)C2O

Sugarmoiety:

OCC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4869691

AD23125

Formula: C34H54O7

Smiles:

CC(=O)OCC12C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C1CC(C)(C)C(OC(C)=O)C2O

HBA:	7	RingCount:	5
HBD:	3	FractionCSP3:	0.88
AlogP:	5.2	Num_rotatable_bonds:	3
MolWt:	574.8	Num_heavy_atoms:	41
TPSA:	113.29	NumAromaticRings:	0