Glycoside
GD092379
Name:
NoneFormula:
C18H22O8N2SSmiles:
CCOC(=O)[C@@H]1CCCc2sc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c(C#N)c21Aglycone:
CCOC(=O)C1CCCc2sc(N)c(C#N)c21Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 8 |
| MolWt: | 426.45 | Num_heavy_atoms: | 29 |
| TPSA: | 177.18 | NumAromaticRings: | 1 |
Unique Aglycone
AD40303
Formula: C12H14O2N2S
Smiles:
CCOC(=O)C1CCCc2sc(N)c(C#N)c21| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 250.32 | Num_heavy_atoms: | 17 |
| TPSA: | 76.11 | NumAromaticRings: | 1 |
