Glycoside
GD019467
Name:
NoneFormula:
C12H13O6N3Smiles:
CC(=O)OC[C@@H]1O[C@H]([n+]2ccc(C#N)c([O-])n2)[C@H](O)[C@H]1OAglycone:
COC(C)=O.N#Cc1cc[nH+]nc1[O-]Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -2.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 295.25 | Num_heavy_atoms: | 21 |
| TPSA: | 139.61 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD13587
Formula: C5H3ON3
Smiles:
N#Cc1cc[nH+]nc1[O-]| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 0 |
| MolWt: | 121.1 | Num_heavy_atoms: | 9 |
| TPSA: | 73.88 | NumAromaticRings: | 1 |
