Glycoside
GD120377
Name:
[3,4,5-trihydroxy-6-({3,4,5-trihydroxy-6-[(methanesulfonyloxy)methyl]oxan-2-yl}oxy)oxan-2-yl]methyl methanesulfonateFormula:
C14H26O15S2Smiles:
CS(=O)(=O)OCC1OC(OC2OC(COS(C)(=O)=O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
COS(C)(=O)=O.COS(C)(=O)=OSugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -5.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 498.48 | Num_heavy_atoms: | 31 |
| TPSA: | 235.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD02567
Formula: C2H6O3S
Smiles:
COS(C)(=O)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.13 | Num_heavy_atoms: | 6 |
| TPSA: | 43.37 | NumAromaticRings: | 0 |
