GD013466

Name:

None

Formula:

C56H87O16N

Smiles:

COc1ccc(CNC(=O)[C@@]23CC[C@H](C)[C@H](C)[C@H]2C2=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@@]4(C)[C@@]2(C)CC3)cc1

Aglycone:

COc1ccc(CNC(=O)C23CCC(C)C(C)C2C2=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(C)CC3)cc1

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4517092

AD10042

Formula: C38H57O3N

Smiles:

COc1ccc(CNC(=O)C23CCC(C)C(C)C2C2=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(C)CC3)cc1

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.76
AlogP:	8.33	Num_rotatable_bonds:	4
MolWt:	575.88	Num_heavy_atoms:	42
TPSA:	58.56	NumAromaticRings:	1