Glycoside
GD038107
Name:
(6r)-1-o-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-l-glucitolFormula:
C13H24O11N2S2Smiles:
CC(=O)OC[C@H]1O[C@H](S(=O)(=O)N2CCC(OS(N)(=O)=O)CC2)[C@H](O)[C@H](O)[C@@H]1OAglycone:
COC(C)=O.NS(=O)(=O)OC1CCN([S](=O)=O)CC1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | -3.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 448.47 | Num_heavy_atoms: | 28 |
| TPSA: | 202.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD10434
Formula: C5H11O5N2S2
Smiles:
NS(=O)(=O)OC1CCN([S](=O)=O)CC1| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 243.29 | Num_heavy_atoms: | 14 |
| TPSA: | 106.77 | NumAromaticRings: | 0 |
