Glycoside
GD103686
Name:
NoneFormula:
C21H20O6N6Smiles:
O=c1[nH]cnc2c1nc(/N=N/Cc1c(O)ccc3ccccc13)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
O=c1[nH]cnc2c1N=C(N=NCc1c(O)ccc3ccccc13)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.43 | Num_heavy_atoms: | 33 |
| TPSA: | 178.44 | NumAromaticRings: | 4 |
Unique Aglycone
AD43861
Formula: C16H11O2N6
Smiles:
O=c1[nH]cnc2c1N=C(N=NCc1c(O)ccc3ccccc13)[N]2| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 319.3 | Num_heavy_atoms: | 24 |
| TPSA: | 117.16 | NumAromaticRings: | 3 |
