GD034230

Name:

None

Formula:

C27H43O18N3S

Smiles:

C[C@@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@H](OC[C@@H]3OC4(NC(=S)NC4=O)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1N[C@@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

NC1C=C(CO)C(O)C(O)C1O.O=C1NC(=S)NC12OC(CO)C(O)C(O)C2O

Sugarmoiety:

CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3618492

AD02201

Formula: C7H13O4N

Smiles:

NC1C=C(CO)C(O)C(O)C1O

HBA:	5	RingCount:	1
HBD:	6	FractionCSP3:	0.71
AlogP:	-2.67	Num_rotatable_bonds:	1
MolWt:	175.18	Num_heavy_atoms:	12
TPSA:	106.94	NumAromaticRings:	0

AD21782

Formula: C8H12O6N2S

Smiles:

O=C1NC(=S)NC12OC(CO)C(O)C(O)C2O

HBA:	8	RingCount:	2
HBD:	6	FractionCSP3:	0.75
AlogP:	-3.84	Num_rotatable_bonds:	1
MolWt:	264.26	Num_heavy_atoms:	17
TPSA:	131.28	NumAromaticRings:	0