Glycoside
GD123479
Name:
{3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-{[(4-methylbenzenesulfonyl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl}methyl 4-methylbenzene-1-sulfonateFormula:
C26H34O15S2Smiles:
Cc1ccc(S(=O)(=O)OCC2OC(OC3OC(COS(=O)(=O)c4ccc(C)cc4)C(O)C(O)C3O)C(O)C(O)C2O)cc1Aglycone:
COS(=O)(=O)c1ccc(C)cc1.COS(=O)(=O)c1ccc(C)cc1Sugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 10 |
| MolWt: | 650.68 | Num_heavy_atoms: | 43 |
| TPSA: | 235.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD01798
Formula: C8H10O3S
Smiles:
COS(=O)(=O)c1ccc(C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 186.23 | Num_heavy_atoms: | 12 |
| TPSA: | 43.37 | NumAromaticRings: | 1 |
