Glycoside
GD036218
Name:
NoneFormula:
C11H13O9N3Smiles:
CCOC(=O)[C@@H]1O[C@H](n2cc([N+](=O)[O-])c(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CCOC=O.O=c1[nH]cc([N+](=O)[O-])c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | -2.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 331.24 | Num_heavy_atoms: | 23 |
| TPSA: | 173.99 | 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 |
AD10917
Formula: C3H6O2
Smiles:
CCOC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
