Glycoside
GD026322
Name:
NoneFormula:
C15H16O13N4P3SSmiles:
Nc1ncnc2c1c(-c1cccs1)cn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O)[C@H](O)[C@H]1OAglycone:
COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O.Nc1ncnc2c1C(c1cccs1)=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 585.3 | Num_heavy_atoms: | 36 |
| TPSA: | 274.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD02973
Formula: CH4O10P3
Smiles:
COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O| HBA: | 10 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 268.95 | Num_heavy_atoms: | 14 |
| TPSA: | 168.31 | NumAromaticRings: | 0 |
AD04035
Formula: C10H7N4S
Smiles:
Nc1ncnc2c1C(c1cccs1)=C[N]2| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 215.26 | Num_heavy_atoms: | 15 |
| TPSA: | 65.9 | NumAromaticRings: | 2 |
