GD038452

Name:

modified acarbose pentasaccharide

Formula:

C31H53O22N

Smiles:

C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)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]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O

Aglycone:

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

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• ACG

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