GD146461

Name:

kirilowin a

Formula:

C18H29O16N3

Smiles:

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

Aglycone:

C=CC(=O)O.COC(=O)CCN(O)O.O=C(O)CCN(O)O.O=C(O)CCN(O)O

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0467738

AD24857

Formula: C3H4O2

Smiles:

C=CC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.0
AlogP:	0.26	Num_rotatable_bonds:	1
MolWt:	72.06	Num_heavy_atoms:	5
TPSA:	37.3	NumAromaticRings:	0

AD47138

Formula: C3H7O4N

Smiles:

O=C(O)CCN(O)O

HBA:	5	RingCount:	0
HBD:	3	FractionCSP3:	0.67
AlogP:	-0.46	Num_rotatable_bonds:	3
MolWt:	121.09	Num_heavy_atoms:	8
TPSA:	81.0	NumAromaticRings:	0

AD52248

Formula: C4H9O4N

Smiles:

COC(=O)CCN(O)O

HBA:	5	RingCount:	0
HBD:	2	FractionCSP3:	0.75
AlogP:	-0.37	Num_rotatable_bonds:	3
MolWt:	135.12	Num_heavy_atoms:	9
TPSA:	70.0	NumAromaticRings:	0