Glycoside
GD067249
Name:
NoneFormula:
C16H20O7N2Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cccc(C#N)c2O)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
N#Cc1cccc(C(=O)NCCO)c1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 352.34 | Num_heavy_atoms: | 25 |
| TPSA: | 152.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD32104
Formula: C10H10O3N2
Smiles:
N#Cc1cccc(C(=O)NCCO)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 206.2 | Num_heavy_atoms: | 15 |
| TPSA: | 93.35 | NumAromaticRings: | 1 |
