Glycoside
GD058798
Name:
NoneFormula:
C14H18O7N2Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2ccc(C#N)o2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
N#Cc1ccc(C(=O)NCCO)o1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 326.31 | Num_heavy_atoms: | 23 |
| TPSA: | 145.18 | NumAromaticRings: | 1 |
Unique Aglycone
AD29342
Formula: C8H8O3N2
Smiles:
N#Cc1ccc(C(=O)NCCO)o1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 86.26 | NumAromaticRings: | 1 |
