Glycoside
GD021855
Name:
NoneFormula:
C18H19O6N7Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)NC(=O)c2ccccc2O)[C@H](O)[C@H]1OAglycone:
CNC(=O)NC(=O)c1ccccc1O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.28 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 429.39 | Num_heavy_atoms: | 31 |
| TPSA: | 197.74 | 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 |
AD14878
Formula: C9H10O3N2
Smiles:
CNC(=O)NC(=O)c1ccccc1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 78.43 | NumAromaticRings: | 1 |
