Glycoside
GD025669
Name:
NoneFormula:
C23H30O9N6Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCc2ccccc2OC2OC(CO)C(O)C(O)C2O)[C@H](O)[C@H]1OAglycone:
CNCc1ccccc1O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.52 |
| AlogP: | -3.0 | Num_rotatable_bonds: | 8 |
| MolWt: | 534.53 | Num_heavy_atoms: | 38 |
| TPSA: | 230.72 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD07956
Formula: C8H11ON
Smiles:
CNCc1ccccc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 137.18 | Num_heavy_atoms: | 10 |
| TPSA: | 32.26 | NumAromaticRings: | 1 |
