Glycoside
GD039297
Name:
5'-o-{[2-(1h-indol-3-yl)ethyl]carbamoyl}guanosineFormula:
C21H23O6N7Smiles:
Nc1nc(=O)c2ncn([C@H]3O[C@H](COC(=O)NCCc4c[nH]c5ccccc45)[C@@H](O)[C@H]3O)c2[nH]1Aglycone:
COC(=O)NCCc1c[nH]c2ccccc12.Nc1nc(=O)c2c([nH]1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 469.46 | Num_heavy_atoms: | 34 |
| TPSA: | 193.4 | NumAromaticRings: | 4 |
Unique Aglycone
AD00826
Formula: C12H14O2N2
Smiles:
COC(=O)NCCc1c[nH]c2ccccc12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 218.26 | Num_heavy_atoms: | 16 |
| TPSA: | 54.12 | NumAromaticRings: | 2 |
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 |
