GD022987

Name:

None

Formula:

C85H103O40N27P6

Smiles:

Cc1cn([C@@H]2C[C@H](OP(=O)(O)O[C@@H]3O[C@H](n4cnc5c(=O)n(C)c(N)nc54)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(=O)n(C)c(N)nc54)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(=O)n(C)c(N)nc54)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c4NC=NC5N)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(O)nc(N)nc54)C[C@H]3OP(=O)(O)OCCO)[C@H](COCc3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)O2)c(=O)[nH]c1=O

Aglycone:

Cc1cn(C2CC(OP(=O)(O)O)C(COCc3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)O2)c(=O)[nH]c1=O.Cn1c(N)nc2c(c1=O)N=C[N]2.Cn1c(N)nc2c(ncn2C2CC(OP(=O)(O)OCC3OC(n4cnc5c(=O)n(C)c(N)nc54)CC3OP(=O)(O)OCC3OC(n4cnc5c4NC=NC5N)CC3OP(=O)(O)OCC3OC(n4cnc5c(O)nc(N)nc54)CC3OP(=O)(O)OCCO)C(COP(=O)(O)O)O2)c1=O

Sugarmoiety:

OC1CC(O)C(O)O1

Other Identifiers

• CHEMBL1160368

AD01990

Formula: C31H33O10N2P

Smiles:

Cc1cn(C2CC(OP(=O)(O)O)C(COCc3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)O2)c(=O)[nH]c1=O

HBA:	12	RingCount:	5
HBD:	3	FractionCSP3:	0.29
AlogP:	3.99	Num_rotatable_bonds:	13
MolWt:	624.58	Num_heavy_atoms:	44
TPSA:	158.54	NumAromaticRings:	4

AD07447

Formula: C6H6ON5

Smiles:

Cn1c(N)nc2c(c1=O)N=C[N]2

HBA:	6	RingCount:	2
HBD:	2	FractionCSP3:	0.17
AlogP:	-0.73	Num_rotatable_bonds:	0
MolWt:	164.15	Num_heavy_atoms:	12
TPSA:	87.37	NumAromaticRings:	1

AD15510

Formula: C44H61O28N20P5

Smiles:

Cn1c(N)nc2c(ncn2C2CC(OP(=O)(O)OCC3OC(n4cnc5c(=O)n(C)c(N)nc54)CC3OP(=O)(O)OCC3OC(n4cnc5c4NC=NC5N)CC3OP(=O)(O)OCC3OC(n4cnc5c(O)nc(N)nc54)CC3OP(=O)(O)OCCO)C(COP(=O)(O)O)O2)c1=O

HBA:	48	RingCount:	12
HBD:	17	FractionCSP3:	0.57
AlogP:	-1.87	Num_rotatable_bonds:	27
MolWt:	1472.95	Num_heavy_atoms:	97
TPSA:	662.49	NumAromaticRings:	7