Glycoside
GD081177
Name:
NoneFormula:
C16H26O7N4SSmiles:
CN1CCN(S(=O)(=O)c2ccc(N[C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)nc2)CC1Aglycone:
CN1CCN(S(=O)(=O)c2ccc(N)nc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -2.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 418.47 | Num_heavy_atoms: | 28 |
| TPSA: | 155.69 | NumAromaticRings: | 1 |
Unique Aglycone
AD36607
Formula: C10H16O2N4S
Smiles:
CN1CCN(S(=O)(=O)c2ccc(N)nc2)CC1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 256.33 | Num_heavy_atoms: | 17 |
| TPSA: | 79.53 | NumAromaticRings: | 1 |
