Glycoside
GD019151
Name:
NoneFormula:
C12H14O8N6Smiles:
O=[N+]([O-])c1nccn1CC1OC(n2ccnc2[N+](=O)[O-])C(O)C(O)C1OAglycone:
Cn1ccnc1[N+](=O)[O-].O=[N+]([O-])C1=NC=C[N]1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 370.28 | Num_heavy_atoms: | 26 |
| TPSA: | 191.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD04625
Formula: C3H2O2N3
Smiles:
O=[N+]([O-])C1=NC=C[N]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.07 | Num_heavy_atoms: | 8 |
| TPSA: | 69.6 | NumAromaticRings: | 0 |
AD06529
Formula: C4H5O2N3
Smiles:
Cn1ccnc1[N+](=O)[O-]| HBA: | 5 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 127.1 | Num_heavy_atoms: | 9 |
| TPSA: | 60.96 | NumAromaticRings: | 1 |
