Glycoside
GD102160
Name:
NoneFormula:
C22H20O7N6Smiles:
O=C(Nc1ccc(N2C(=O)C=CC2=O)cc1)Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
O=C(Nc1ccc(N2C(=O)C=CC2=O)cc1)Nc1ncnc2c1C=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.23 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 480.44 | Num_heavy_atoms: | 35 |
| TPSA: | 179.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD43233
Formula: C17H11O3N6
Smiles:
O=C(Nc1ccc(N2C(=O)C=CC2=O)cc1)Nc1ncnc2c1C=C[N]2| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 347.31 | Num_heavy_atoms: | 26 |
| TPSA: | 118.39 | NumAromaticRings: | 2 |
