Glycoside
GD087858
Name:
NoneFormula:
C17H24O9N2SSmiles:
CCOC(=O)c1c(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)sc(C(=O)N(C)C)c1CAglycone:
CCOC(=O)c1c(N)sc(C(=O)N(C)C)c1CSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 432.45 | Num_heavy_atoms: | 29 |
| TPSA: | 173.7 | NumAromaticRings: | 1 |
Unique Aglycone
AD38528
Formula: C11H16O3N2S
Smiles:
CCOC(=O)c1c(N)sc(C(=O)N(C)C)c1C| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 256.33 | Num_heavy_atoms: | 17 |
| TPSA: | 72.63 | NumAromaticRings: | 1 |
