GD110435

Name:

None

Formula:

C42H54O16N

Smiles:

CC[C@]1(O)C[C@H](O[C@@H]2C[C@H]([NH+](C)C)[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)ccc(O)c2C3=O)[C@@H]1C(=O)OC

Aglycone:

CC1OC(O)CCC1=O.CCC1(O)CC(OC2CC([NH+](C)C)C(O)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)C1C(=O)OC

Sugarmoiety:

CC1OC(O)CC(O)C1O

Other Identifiers

• ZINC000257546042

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

AD44641

Formula: C30H36O11N

Smiles:

CCC1(O)CC(OC2CC([NH+](C)C)C(O)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)C1C(=O)OC

HBA:	12	RingCount:	5
HBD:	6	FractionCSP3:	0.5
AlogP:	0.45	Num_rotatable_bonds:	5
MolWt:	586.61	Num_heavy_atoms:	42
TPSA:	184.49	NumAromaticRings:	2