Glycoside
GD035294
Name:
NoneFormula:
C17H16O6N6Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)Nc2cccc(C(=O)O)c2)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CNc1cccc(C(=O)O)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 400.35 | Num_heavy_atoms: | 29 |
| TPSA: | 185.71 | 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 |
AD22342
Formula: C8H7O3N
Smiles:
O=CNc1cccc(C(=O)O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 165.15 | Num_heavy_atoms: | 12 |
| TPSA: | 66.4 | NumAromaticRings: | 1 |
