GD031687

Name:

None

Formula:

C57H92O23

Smiles:

CCC(C)C(=O)O[C@@H]1[C@H](O)C(C)(C)C[C@@H]2C3=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O[C@@H]8O[C@H](C)[C@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H]6O)[C@](C)(CO)[C@H]5CC[C@@]4(C)[C@@]3(C)[C@H](OC(=O)CC(C)C)[C@H](O)[C@@]12CO

Aglycone:

CCC(C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)C(OC(=O)CC(C)C)C(O)C21CO

Sugarmoiety:

CC1OC(OC2C(O)COC(OC3C(O)C(O)OC(C(=O)O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4288481

AD20394

Formula: C40H66O9

Smiles:

CCC(C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)C(OC(=O)CC(C)C)C(O)C21CO

HBA:	9	RingCount:	5
HBD:	5	FractionCSP3:	0.9
AlogP:	5.19	Num_rotatable_bonds:	8
MolWt:	690.96	Num_heavy_atoms:	49
TPSA:	153.75	NumAromaticRings:	0