Glycoside
GD075915
Name:
NoneFormula:
C15H18O8N4Smiles:
COc1cc2ncnc(N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)c2cc1[N+](=O)[O-]Aglycone:
COc1cc2ncnc(N)c2cc1[N+](=O)[O-]Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 382.33 | Num_heavy_atoms: | 27 |
| TPSA: | 180.33 | NumAromaticRings: | 2 |
Unique Aglycone
AD35134
Formula: C9H8O3N4
Smiles:
COc1cc2ncnc(N)c2cc1[N+](=O)[O-]| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 220.19 | Num_heavy_atoms: | 16 |
| TPSA: | 104.17 | NumAromaticRings: | 2 |
