Glycoside
GD133135
Name:
[4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxidanesulfonic acidFormula:
C12H16O10SSmiles:
O=S(=O)(O)OC1C(Oc2ccc(O)cc2)OC(CO)C(O)C1OAglycone:
O=S(=O)(O)O.Oc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 352.32 | Num_heavy_atoms: | 23 |
| TPSA: | 162.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD00519
Formula: C6H6O2
Smiles:
Oc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.11 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
