Glycoside
GD058452
Name:
NoneFormula:
C14H19O6N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2ccc(C#N)[nH]2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
N#Cc1ccc(C(=O)NCCO)[nH]1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 325.32 | Num_heavy_atoms: | 23 |
| TPSA: | 147.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD29217
Formula: C8H9O2N3
Smiles:
N#Cc1ccc(C(=O)NCCO)[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.18 | Num_heavy_atoms: | 13 |
| TPSA: | 88.91 | NumAromaticRings: | 1 |
