Glycoside
GD039656
Name:
3'-o-{[2-(methylamino)phenyl]carbonyl}inosine 5'-(tetrahydrogen triphosphate)Formula:
C18H22O15N5P3Smiles:
CNc1ccccc1C(=O)O[C@H]1[C@H](O)[C@H](n2cnc3c(=O)[nH]cnc32)O[C@@H]1CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)OAglycone:
CNc1ccccc1C(=O)O.COP(=O)(O)OP(=O)(O)OP(=O)(O)O.O=c1[nH]cnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 11 |
| MolWt: | 641.32 | Num_heavy_atoms: | 41 |
| TPSA: | 291.18 | NumAromaticRings: | 3 |
Unique Aglycone
AD00255
Formula: C8H9O2N
Smiles:
CNc1ccccc1C(=O)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 151.16 | Num_heavy_atoms: | 11 |
| TPSA: | 49.33 | NumAromaticRings: | 1 |
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 |
AD01144
Formula: C5H3ON4
Smiles:
O=c1[nH]cnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.21 | NumAromaticRings: | 1 |
