Glycoside
GD083890
Name:
NoneFormula:
C18H28O7N2SSmiles:
CS(=O)(=O)N1CCC(c2ccc(N[C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)cc2)CC1Aglycone:
CS(=O)(=O)N1CCC(c2ccc(N)cc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 416.5 | Num_heavy_atoms: | 28 |
| TPSA: | 139.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD37399
Formula: C12H18O2N2S
Smiles:
CS(=O)(=O)N1CCC(c2ccc(N)cc2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 254.36 | Num_heavy_atoms: | 17 |
| TPSA: | 63.4 | NumAromaticRings: | 1 |
