GD013405

Name:

None

Formula:

C49H60O15N

Smiles:

CC[C@]1(O)C[C@H](O[C@@H]2C[C@H]([N+](C)(C)Cc3ccccc3)[C@H](O[C@@H]3C[C@H](O)[C@H](O[C@@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC

Aglycone:

CC1OC(O)CCC1=O.CCC1(O)CC(OC2CC([N+](C)(C)Cc3ccccc3)C(O)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OC

Sugarmoiety:

CC1OC(O)CC(O)C1O

Other Identifiers

• CHEMBL4279999

AD00014

Formula: C6H10O3

Smiles:

CC1OC(O)CCC1=O

HBA:	3	RingCount:	1
HBD:	1	FractionCSP3:	0.83
AlogP:	0.07	Num_rotatable_bonds:	0
MolWt:	130.14	Num_heavy_atoms:	9
TPSA:	46.53	NumAromaticRings:	0

AD10007

Formula: C37H42O10N

Smiles:

CCC1(O)CC(OC2CC([N+](C)(C)Cc3ccccc3)C(O)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OC

HBA:	11	RingCount:	6
HBD:	4	FractionCSP3:	0.43
AlogP:	3.87	Num_rotatable_bonds:	7
MolWt:	660.74	Num_heavy_atoms:	48
TPSA:	159.82	NumAromaticRings:	3