Glycoside
GD030042
Name:
NoneFormula:
C19H25O14N5P2SSmiles:
Nc1ncnc2c1nc(-c1ccsc1)n2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]2OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OC.Nc1ncnc2c1N=C(c1ccsc1)[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.53 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 10 |
| MolWt: | 641.45 | Num_heavy_atoms: | 41 |
| TPSA: | 291.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD00050
Formula: C2H8O7P2
Smiles:
COP(=O)(O)OP(=O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 206.03 | Num_heavy_atoms: | 11 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
AD19470
Formula: C9H6N5S
Smiles:
Nc1ncnc2c1N=C(c1ccsc1)[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 1 |
| MolWt: | 216.25 | Num_heavy_atoms: | 15 |
| TPSA: | 78.26 | NumAromaticRings: | 2 |
