Glycoside
GD046577
Name:
NoneFormula:
C13H14O6N2Smiles:
O=[N+]([O-])c1ccc2c(ccn2[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c1Aglycone:
O=[N+]([O-])c1ccc2[nH]ccc2c1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 294.26 | Num_heavy_atoms: | 21 |
| TPSA: | 117.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD11034
Formula: C8H6O2N2
Smiles:
O=[N+]([O-])c1ccc2[nH]ccc2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 162.15 | Num_heavy_atoms: | 12 |
| TPSA: | 58.93 | NumAromaticRings: | 2 |
