GD035172

Name:

None

Formula:

C46H66O22

Smiles:

CC(=O)OC[C@@H]1[C@@H]2C3=C(C(=O)[C@H]2O[C@]12OC[C@H](C)[C@H](O)[C@H]2O)[C@@H]1CC=C2C[C@H](O)C[C@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](C)[C@H](OC(C)=O)[C@H](O[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@H]4O)[C@@]2(C)[C@H]1CC3

Aglycone:

CC(=O)OCC1C2C3=C(C(=O)C2OC12OCC(C)C(O)C2O)C1CC=C2CC(O)CC(O)C2(C)C1CC3

Sugarmoiety:

CC(=O)OC1C(C)OC(OC2C(O)OCC(O)C2O)C(O)C1OC1OCC(O)(CO)C1O

Other Identifiers

• CHEMBL4074658

AD17712

Formula: C28H38O9

Smiles:

CC(=O)OCC1C2C3=C(C(=O)C2OC12OCC(C)C(O)C2O)C1CC=C2CC(O)CC(O)C2(C)C1CC3

HBA:	9	RingCount:	6
HBD:	4	FractionCSP3:	0.79
AlogP:	1.02	Num_rotatable_bonds:	2
MolWt:	518.6	Num_heavy_atoms:	37
TPSA:	142.75	NumAromaticRings:	0