Glycoside
GD067113
Name:
NoneFormula:
C11H16O7N2S2Smiles:
O=C(CN1C(=O)CSC1=S)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
NC(=O)CN1C(=O)CSC1=SSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | -3.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 352.39 | Num_heavy_atoms: | 22 |
| TPSA: | 139.56 | NumAromaticRings: | 0 |
Unique Aglycone
AD32075
Formula: C5H6O2N2S2
Smiles:
NC(=O)CN1C(=O)CSC1=S| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 190.25 | Num_heavy_atoms: | 11 |
| TPSA: | 63.4 | NumAromaticRings: | 0 |
