Glycoside
GD067162
Name:
NoneFormula:
C14H16O5N4SSmiles:
Cc1c(C#N)c(N)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(=S)c1C#NAglycone:
Cc1c(C#N)c(N)[nH]c(=S)c1C#NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 352.37 | Num_heavy_atoms: | 24 |
| TPSA: | 168.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD02858
Formula: C8H6N4S
Smiles:
Cc1c(C#N)c(N)[nH]c(=S)c1C#N| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 0 |
| MolWt: | 190.23 | Num_heavy_atoms: | 13 |
| TPSA: | 89.39 | NumAromaticRings: | 1 |
