Glycoside
GD064064
Name:
NoneFormula:
C12H22O8N2SSmiles:
O=C(CN1CCS(=O)(=O)CC1)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
NC(=O)CN1CCS(=O)(=O)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | -4.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 354.38 | Num_heavy_atoms: | 23 |
| TPSA: | 156.63 | NumAromaticRings: | 0 |
Unique Aglycone
AD30813
Formula: C6H12O3N2S
Smiles:
NC(=O)CN1CCS(=O)(=O)CC1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | -1.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 192.24 | Num_heavy_atoms: | 12 |
| TPSA: | 80.47 | NumAromaticRings: | 0 |
