Glycoside
GD010079
Name:
NoneFormula:
C14H16O6N2SSmiles:
N#Cc1ccc(C(=NO)S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
N#Cc1ccc(C(S)=NO)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 340.36 | Num_heavy_atoms: | 23 |
| TPSA: | 146.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD07829
Formula: C8H6ON2S
Smiles:
N#Cc1ccc(C(S)=NO)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.22 | Num_heavy_atoms: | 12 |
| TPSA: | 56.38 | NumAromaticRings: | 1 |
