Glycoside
GD089015
Name:
NoneFormula:
C16H23O10N3SSmiles:
CCOC(=O)c1cc(C)nc(N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c1C#NAglycone:
CCOC(=O)c1cc(C)nc(N)c1C#N.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 449.44 | Num_heavy_atoms: | 30 |
| TPSA: | 214.85 | NumAromaticRings: | 1 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD38903
Formula: C10H11O2N3
Smiles:
CCOC(=O)c1cc(C)nc(N)c1C#N| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 205.22 | Num_heavy_atoms: | 15 |
| TPSA: | 89.0 | NumAromaticRings: | 1 |
