GD150979

Name:

None

Formula:

C45H75O19N7S

Smiles:

CCCCCC(=O)OCC1OC(OC2CC3C(O)C4(C2)OC(O)=NC4C(C(O)=NCCC2=CCN(C(N)N)C2)N3C(=O)C(N=C(O)C(COS(=O)(=O)O)OC)C(C)CC)C(OC(=O)CCCCC)C(O)C1O

Aglycone:

CCC(C)C(N=C(O)C(COS(=O)(=O)O)OC)C(=O)N1C2CC(O)CC3(OC(O)=NC3C1C(O)=NCCC1=CCN(C(N)N)C1)C2O.CCCCCC(=O)O.CCCCCC(=O)OC

Sugarmoiety:

OCC1OC(O)OC(O)C1O

Other Identifiers

• CNP0471829

AD00130

Formula: C6H12O2

Smiles:

CCCCCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.83
AlogP:	1.65	Num_rotatable_bonds:	4
MolWt:	116.16	Num_heavy_atoms:	8
TPSA:	37.3	NumAromaticRings:	0

AD02869

Formula: C7H14O2

Smiles:

CCCCCC(=O)OC

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.86
AlogP:	1.74	Num_rotatable_bonds:	4
MolWt:	130.19	Num_heavy_atoms:	9
TPSA:	26.3	NumAromaticRings:	0

AD60261

Formula: C27H45O12N7S

Smiles:

CCC(C)C(N=C(O)C(COS(=O)(=O)O)OC)C(=O)N1C2CC(O)CC3(OC(O)=NC3C1C(O)=NCCC1=CCN(C(N)N)C1)C2O

HBA:	19	RingCount:	4
HBD:	10	FractionCSP3:	0.78
AlogP:	-1.87	Num_rotatable_bonds:	14
MolWt:	691.76	Num_heavy_atoms:	47
TPSA:	295.88	NumAromaticRings:	0