Glycoside
GD142010
Name:
{3,4,5-trihydroxy-6-[2-hydroxy-3-(tetradecanoyloxy)propoxy]oxan-2-yl}methanesulfonic acidFormula:
C23H44O11SSmiles:
CCCCCCCCCCCCCC(=O)OCC(O)COC1OC(CS(=O)(=O)O)C(O)C(O)C1OAglycone:
CCCCCCCCCCCCCC(=O)OCC(O)CO.CS(=O)(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.96 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 19 |
| MolWt: | 528.66 | Num_heavy_atoms: | 35 |
| TPSA: | 180.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD00013
Formula: CH4O3S
Smiles:
CS(=O)(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 96.11 | Num_heavy_atoms: | 5 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
AD10036
Formula: C17H34O4
Smiles:
CCCCCCCCCCCCCC(=O)OCC(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 15 |
| MolWt: | 302.45 | Num_heavy_atoms: | 21 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
