Glycoside
GD064502
Name:
NoneFormula:
C13H22O8N2SSmiles:
CCS(=O)(=O)N1CC2(CN(C(=O)[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)C2)C1Aglycone:
CCS(=O)(=O)N1CC2(CN(C=O)C2)C1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | -3.72 | Num_rotatable_bonds: | 3 |
| MolWt: | 366.39 | Num_heavy_atoms: | 24 |
| TPSA: | 147.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD31042
Formula: C8H14O3N2S
Smiles:
CCS(=O)(=O)N1CC2(CN(C=O)C2)C1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.88 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 218.28 | Num_heavy_atoms: | 14 |
| TPSA: | 57.69 | NumAromaticRings: | 0 |
