Glycoside
GD039153
Name:
3-{4-[2-(beta-d-glucopyranosyloxy)ethyl]piperazin-1-yl}propane-1-sulfonic acidFormula:
C15H30O9N2SSmiles:
O=S(=O)(O)CCCN1CCN(CCO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)CC1Aglycone:
O=S(=O)(O)CCCN1CCN(CCO)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -3.3 | Num_rotatable_bonds: | 9 |
| MolWt: | 414.48 | Num_heavy_atoms: | 27 |
| TPSA: | 160.23 | NumAromaticRings: | 0 |
Unique Aglycone
AD24294
Formula: C9H20O4N2S
Smiles:
O=S(=O)(O)CCCN1CCN(CCO)CC1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 252.34 | Num_heavy_atoms: | 16 |
| TPSA: | 81.08 | NumAromaticRings: | 0 |
