Glycoside
GD035425
Name:
NoneFormula:
C21H22O6N2Smiles:
CC(=O)N[C@@H]1[C@H](Oc2ccccc2-c2cccc(C#N)c2)O[C@H](CO)[C@H](O)[C@H]1OAglycone:
N#Cc1cccc(-c2ccccc2O)c1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 398.42 | Num_heavy_atoms: | 29 |
| TPSA: | 132.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD22411
Formula: C13H9ON
Smiles:
N#Cc1cccc(-c2ccccc2O)c1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 195.22 | Num_heavy_atoms: | 15 |
| TPSA: | 44.02 | NumAromaticRings: | 2 |
