Glycoside
GD144849
Name:
{[3,4,5-trihydroxy-6-(oct-1-en-3-yloxy)oxan-2-yl]methoxy}sulfonic acidFormula:
C14H26O9SSmiles:
C=CC(CCCCC)OC1OC(COS(=O)(=O)O)C(O)C(O)C1OAglycone:
C=CC(O)CCCCC.COS(=O)(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 10 |
| MolWt: | 370.42 | Num_heavy_atoms: | 24 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD00053
Formula: CH4O4S
Smiles:
COS(=O)(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.11 | Num_heavy_atoms: | 6 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD04132
Formula: C8H16O
Smiles:
C=CC(O)CCCCC| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 128.22 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
