GD022641

Name:

None

Formula:

C41H58O21N9P3S2

Smiles:

CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OP(=O)(O)O)[C@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)N1C(=O)N[C@@H]2[C@H](CCCCC(=O)OCc3ccccc3)SC[C@H]21

Aglycone:

COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)N1C(=O)NC2C(CCCCC(=O)OCc3ccccc3)SCC21.Nc1ncnc2c1N=C[N]2.O=P(O)(O)O

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL2165256

AD00019

Formula: H3O4P

Smiles:

O=P(O)(O)O

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	0.0
AlogP:	-0.93	Num_rotatable_bonds:	0
MolWt:	97.99	Num_heavy_atoms:	5
TPSA:	77.76	NumAromaticRings:	0

AD00058

Formula: C5H4N5

Smiles:

Nc1ncnc2c1N=C[N]2

HBA:	5	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.03	Num_rotatable_bonds:	0
MolWt:	134.12	Num_heavy_atoms:	10
TPSA:	78.26	NumAromaticRings:	1

AD15326

Formula: C32H48O15N4P2S2

Smiles:

COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)N1C(=O)NC2C(CCCCC(=O)OCc3ccccc3)SCC21

HBA:	19	RingCount:	3
HBD:	6	FractionCSP3:	0.62
AlogP:	2.23	Num_rotatable_bonds:	23
MolWt:	854.83	Num_heavy_atoms:	55
TPSA:	273.5	NumAromaticRings:	1