Glycoside
GD050447
Name:
NoneFormula:
C9H9O9N3Smiles:
O=C(O)[C@@H]1O[C@@H](n2cc([N+](=O)[O-])c(=O)[nH]c2=O)[C@@H](O)[C@@H]1OAglycone:
O=c1[nH]cc([N+](=O)[O-])c(=O)[nH]1Sugarmoiety:
O=C(O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -2.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 303.18 | Num_heavy_atoms: | 21 |
| TPSA: | 184.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD10163
Formula: C4H3O4N3
Smiles:
O=c1[nH]cc([N+](=O)[O-])c(=O)[nH]1| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 157.09 | Num_heavy_atoms: | 11 |
| TPSA: | 108.86 | NumAromaticRings: | 1 |
