Glycoside
GD030419
Name:
NoneFormula:
C22H21O8N7Smiles:
Nc1nc2c(ncn2[C@@H]2O[C@H](CNc3c(NCc4ccccc4C(=O)O)c(=O)c3=O)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
CNc1c(NCc2ccccc2C(=O)O)c(=O)c1=O.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.27 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 8 |
| MolWt: | 511.45 | Num_heavy_atoms: | 37 |
| TPSA: | 234.78 | NumAromaticRings: | 4 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| 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 |
AD19684
Formula: C13H12O4N2
Smiles:
CNc1c(NCc2ccccc2C(=O)O)c(=O)c1=O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 260.25 | Num_heavy_atoms: | 19 |
| TPSA: | 95.5 | NumAromaticRings: | 2 |
