Glycoside
GD039958
Name:
7-deaza-gtpFormula:
C11H17O14N4P3Smiles:
Nc1nc2c(ccn2[C@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Nc1nc2c(c(=O)[nH]1)C=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.45 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 522.19 | Num_heavy_atoms: | 32 |
| TPSA: | 286.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD01014
Formula: C6H5ON4
Smiles:
Nc1nc2c(c(=O)[nH]1)C=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.13 | Num_heavy_atoms: | 11 |
| TPSA: | 85.87 | NumAromaticRings: | 1 |
