Glycoside
GD154948
Name:
{3,4,5-trihydroxy-6-[2-hydroxy-3-(octadeca-9,12-dienoyloxy)propoxy]oxan-2-yl}methanesulfonic acidFormula:
C27H48O11SSmiles:
CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)COC1OC(CS(=O)(=O)O)C(O)C(O)C1OAglycone:
CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)CO.CS(=O)(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 21 |
| MolWt: | 580.74 | Num_heavy_atoms: | 39 |
| 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 |
AD17472
Formula: C21H38O4
Smiles:
CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 4.7 | Num_rotatable_bonds: | 17 |
| MolWt: | 354.53 | Num_heavy_atoms: | 25 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
