Glycoside
GD012642
Name:
NoneFormula:
C11H17O13N7P3Smiles:
N=c1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)([O-])O)[C@H](O)[C@H]3O)c2c(N)n1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)([O-])O.N=c1nc(N)c2c(c(N)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.45 |
| AlogP: | -3.2 | Num_rotatable_bonds: | 8 |
| MolWt: | 548.22 | Num_heavy_atoms: | 34 |
| TPSA: | 331.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD09054
Formula: CH6O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)([O-])O| HBA: | 10 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 270.97 | Num_heavy_atoms: | 14 |
| TPSA: | 162.65 | NumAromaticRings: | 0 |
AD09514
Formula: C6H6N7
Smiles:
N=c1nc(N)c2c(c(N)n1)N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 0 |
| MolWt: | 176.16 | Num_heavy_atoms: | 13 |
| TPSA: | 128.13 | NumAromaticRings: | 1 |
