GD150700

Name:

Streptovirudin A1

Formula:

C35H58O16N4

Smiles:

CC(O)=NC1C(OC2OC(CC(O)C3OC(N4CCC(O)=NC4=O)C(O)C3O)C(O)C(O)C2N=C(O)C=CCCCCCCC(C)C)OC(CO)C(O)C1O

Aglycone:

CC(C)CCCCCCC=CC(=N)O.O=C1N=C(O)CCN1

Sugarmoiety:

CC(O)=NC1C(OC2OC(CC(O)C3OC(O)C(O)C3O)C(O)C(O)C2O)OC(CO)C(O)C1O

Other Identifiers

• CNP0232988

AD45212

Formula: C4H6O2N2

Smiles:

O=C1N=C(O)CCN1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.5
AlogP:	0.06	Num_rotatable_bonds:	0
MolWt:	114.1	Num_heavy_atoms:	8
TPSA:	61.69	NumAromaticRings:	0

AD50811

Formula: C12H23ON

Smiles:

CC(C)CCCCCCC=CC(=N)O

HBA:	2	RingCount:	0
HBD:	2	FractionCSP3:	0.75
AlogP:	4.07	Num_rotatable_bonds:	8
MolWt:	197.32	Num_heavy_atoms:	14
TPSA:	44.08	NumAromaticRings:	0