Glycoside
GD120940
Name:
2-hydroxy-3-({3,4,5-trihydroxy-6-[(sulfonyloxy)methyl]oxan-2-yl}oxy)propyl hexadecanoateFormula:
C25H48O11SSmiles:
CCCCCCCCCCCCCCCC(=O)OCC(O)COC1OC(CO[SH](=O)=O)C(O)C(O)C1OAglycone:
CCCCCCCCCCCCCCCC(=O)OCC(O)CO.CO[SH](=O)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.96 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 22 |
| MolWt: | 556.72 | Num_heavy_atoms: | 37 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD01838
Formula: C19H38O4
Smiles:
CCCCCCCCCCCCCCCC(=O)OCC(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 4.36 | Num_rotatable_bonds: | 17 |
| MolWt: | 330.51 | Num_heavy_atoms: | 23 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD48634
Formula: CH4O3S
Smiles:
CO[SH](=O)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 96.11 | Num_heavy_atoms: | 5 |
| TPSA: | 43.37 | NumAromaticRings: | 0 |
