Glycoside
GD039077
Name:
1-s-(carboxymethyl)-1-thio-beta-d-fructopyranoseFormula:
C8H14O7SSmiles:
O=C(O)CSC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1OAglycone:
CSCC(=O)OSugarmoiety:
OC1COC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | -2.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 254.26 | Num_heavy_atoms: | 16 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD24268
Formula: C3H6O2S
Smiles:
CSCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 106.15 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
