GD102211

Name:

None

Formula:

C21H31O10N3

Smiles:

CC(=O)OC[C@H]1O[C@@H](n2cc(NCCCOC(C)C)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

CC(C)OCCCNc1c[nH]c(=O)[nH]c1=O.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

• ZINC001168682560

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD43257

Formula: C10H17O3N3

Smiles:

CC(C)OCCCNc1c[nH]c(=O)[nH]c1=O

HBA:	6	RingCount:	1
HBD:	3	FractionCSP3:	0.6
AlogP:	0.29	Num_rotatable_bonds:	6
MolWt:	227.26	Num_heavy_atoms:	16
TPSA:	86.98	NumAromaticRings:	1