GD011526

Name:

None

Formula:

C52H84O23

Smiles:

C[C@@H]1O[C@H](OC[C@@H]2O[C@H](OC(=O)[C@@]34CC[C@@](C)(O)[C@H](C)[C@H]3C3=CC[C@@H]5[C@]6(C)C[C@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@](C)(CO)[C@H]6CC[C@@]5(C)[C@@]3(C)CC4)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1C2C3=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1(C)O

Sugarmoiety:

CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OC1COC(OC2C(O)COC(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL509985

AD07930

Formula: C30H48O6

Smiles:

CC1C2C3=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1(C)O

HBA:	6	RingCount:	5
HBD:	5	FractionCSP3:	0.9
AlogP:	4.15	Num_rotatable_bonds:	2
MolWt:	504.71	Num_heavy_atoms:	36
TPSA:	118.22	NumAromaticRings:	0