Glycoside
GD038128
Name:
5'-s-[(s)-hydroxy{[2-(1h-indol-3-yl)ethyl]amino}phosphoryl]-5'-thioguanosineFormula:
C20H24O6N7PSSmiles:
Nc1nc(=O)c2ncn([C@H]3O[C@H](CSP(=O)(O)NCCc4c[nH]c5ccccc45)[C@@H](O)[C@H]3O)c2[nH]1Aglycone:
CSP(=O)(O)NCCc1c[nH]c2ccccc12.Nc1nc(=O)c2c([nH]1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.35 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 521.5 | Num_heavy_atoms: | 35 |
| TPSA: | 204.4 | NumAromaticRings: | 4 |
Unique Aglycone
AD01192
Formula: C5H4ON5
Smiles:
Nc1nc(=O)c2c([nH]1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD22853
Formula: C11H15O2N2PS
Smiles:
CSP(=O)(O)NCCc1c[nH]c2ccccc12| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 270.29 | Num_heavy_atoms: | 17 |
| TPSA: | 65.12 | NumAromaticRings: | 2 |
