Glycoside
GD039154
Name:
2-{4-[2-(beta-d-glucopyranosyloxy)ethyl]piperazin-1-yl}ethanesulfonic acidFormula:
C14H28O9N2SSmiles:
O=S(=O)(O)CCN1CCN(CCO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)CC1Aglycone:
O=S(=O)(O)CCN1CCN(CCO)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -3.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 400.45 | Num_heavy_atoms: | 26 |
| TPSA: | 160.23 | NumAromaticRings: | 0 |
Unique Aglycone
AD24295
Formula: C8H18O4N2S
Smiles:
O=S(=O)(O)CCN1CCN(CCO)CC1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 238.31 | Num_heavy_atoms: | 15 |
| TPSA: | 81.08 | NumAromaticRings: | 0 |
