GD010694

Name:

None

Formula:

C29H49O19N

Smiles:

CC(=O)N[C@@H]1[C@H](O)C[C@](O[C@H]2[C@H](O)[C@@H](O[C@@H]3CCCC[C@H]3O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)O[C@@H](CO)[C@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO

Aglycone:

CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO.OC1CCCCC1O

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL270077

AD00077

Formula: C11H19O9N

Smiles:

CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO

HBA:	10	RingCount:	1
HBD:	7	FractionCSP3:	0.82
AlogP:	-3.87	Num_rotatable_bonds:	5
MolWt:	309.27	Num_heavy_atoms:	21
TPSA:	176.78	NumAromaticRings:	0

AD00489

Formula: C6H12O2

Smiles:

OC1CCCCC1O

HBA:	2	RingCount:	1
HBD:	2	FractionCSP3:	1.0
AlogP:	0.28	Num_rotatable_bonds:	0
MolWt:	116.16	Num_heavy_atoms:	8
TPSA:	40.46	NumAromaticRings:	0