GD111337

Name:

None

Formula:

C42H54O15N

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)cccc2C3=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)cccc2C3=O)C1C(=O)OC

Sugarmoiety:

CC1OC(O)CC(O)C1O

Other Identifiers

• ZINC000085902233

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

AD44044

Formula: C30H36O10N

Smiles:

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

HBA:	11	RingCount:	5
HBD:	5	FractionCSP3:	0.5
AlogP:	0.74	Num_rotatable_bonds:	5
MolWt:	570.62	Num_heavy_atoms:	41
TPSA:	164.26	NumAromaticRings:	2