Glycoside
GD030442
Name:
NoneFormula:
C26H23O12N6Smiles:
O=C(Nc1nc(OCc2ccccc2)c2[nH]cnc2n1)OCc1ccc(O[C@@H]2OC(C(=O)[O-])[C@H](O)C(O)[C@H]2O)c([N+](=O)[O-])c1Aglycone:
O=C(Nc1nc(OCc2ccccc2)c2[nH]cnc2n1)OCc1ccc(O)c([N+](=O)[O-])c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 10 |
| MolWt: | 611.5 | Num_heavy_atoms: | 44 |
| TPSA: | 264.44 | NumAromaticRings: | 4 |
Unique Aglycone
AD13134
Formula: C20H16O6N6
Smiles:
O=C(Nc1nc(OCc2ccccc2)c2[nH]cnc2n1)OCc1ccc(O)c([N+](=O)[O-])c1| HBA: | 12 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.1 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 436.38 | Num_heavy_atoms: | 32 |
| TPSA: | 165.39 | NumAromaticRings: | 4 |
