Glycoside
GD076108
Name:
NoneFormula:
C18H25O6N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@@H](N)Cc2ccccc2C#N)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
N#Cc1ccccc1CC(N)C(=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 379.41 | Num_heavy_atoms: | 27 |
| TPSA: | 158.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD35175
Formula: C12H15O2N3
Smiles:
N#Cc1ccccc1CC(N)C(=O)NCCO| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 233.27 | Num_heavy_atoms: | 17 |
| TPSA: | 99.14 | NumAromaticRings: | 1 |
