GD031866

Name:

None

Formula:

C56H82O19

Smiles:

C[C@@H]1O[C@H](O[C@H]2[C@H](CO)O[C@@H](O[C@@H]3[C@H](O)C[C@]4(C)[C@H](CC[C@]5(C)[C@H]4CC=C4[C@@H]6CC(C)(C)[C@H](OC(=O)C=Cc7ccccc7)C[C@@]6(C(=O)O)CC[C@]45C)C3(C)C)[C@@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1(C)CC2C3=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1OC(=O)C=Cc1ccccc1

Sugarmoiety:

CC1OC(OC2C(CO)OC(O)C(OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4278349

AD20495

Formula: C39H54O6

Smiles:

CC1(C)CC2C3=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1OC(=O)C=Cc1ccccc1

HBA:	6	RingCount:	6
HBD:	3	FractionCSP3:	0.69
AlogP:	7.44	Num_rotatable_bonds:	4
MolWt:	618.86	Num_heavy_atoms:	45
TPSA:	104.06	NumAromaticRings:	1