GD105947

Name:

None

Formula:

C30H35O18N5S

Smiles:

CC(=O)OC[C@@H]1O[C@H](n2nc(SCc3cn([C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)c(=O)[nH]c3=O)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.COC(C)=O.O=c1[nH]cc(CSc2n[nH]c(=O)[nH]c2=O)c(=O)[nH]1

Sugarmoiety:

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

Other Identifiers

• ZINC000195815808

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

AD44067

Formula: C8H7O4N5S

Smiles:

O=c1[nH]cc(CSc2n[nH]c(=O)[nH]c2=O)c(=O)[nH]1

HBA:	9	RingCount:	2
HBD:	4	FractionCSP3:	0.12
AlogP:	-1.87	Num_rotatable_bonds:	3
MolWt:	269.24	Num_heavy_atoms:	18
TPSA:	144.33	NumAromaticRings:	2