Glycoside
GD136257
Name:
[4,5-dihydroxy-6-(hydroxymethyl)-2-[3-(4-methoxyphenyl)propoxy]oxan-3-yl]oxidanesulfonic acidFormula:
C16H24O10SSmiles:
COc1ccc(CCCOC2OC(CO)C(O)C(O)C2OS(=O)(=O)O)cc1Aglycone:
COc1ccc(CCCO)cc1.O=S(=O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 9 |
| MolWt: | 408.43 | Num_heavy_atoms: | 27 |
| TPSA: | 151.98 | 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 |
AD09654
Formula: C10H14O2
Smiles:
COc1ccc(CCCO)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 166.22 | Num_heavy_atoms: | 12 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
