Glycoside
GD030033
Name:
NoneFormula:
C11H14O12N5P3SSmiles:
Cc1nc(N)c2ncn([C@@H]3O[C@H](CS)[C@H](OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@H]3O)c2n1Aglycone:
Cc1nc(N)c2c(n1)[N]C=N2.O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OSugarmoiety:
OC1OC(CS)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | -2.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 533.25 | Num_heavy_atoms: | 32 |
| TPSA: | 270.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD01302
Formula: C6H6N5
Smiles:
Cc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 148.15 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD19467
Formula: HO10P3
Smiles:
O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])O| HBA: | 10 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -3.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 253.92 | Num_heavy_atoms: | 13 |
| TPSA: | 182.14 | NumAromaticRings: | 0 |
