Glycoside
GD155838
Name:
{2-[(6,7-dihydroxy-3,7-dimethyloct-1-en-3-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl}oxidanesulfonic acidFormula:
C16H30O11SSmiles:
C=CC(C)(CCC(O)C(C)(C)O)OC1OC(CO)C(O)C(OS(=O)(=O)O)C1OAglycone:
C=CC(C)(O)CCC(O)C(C)(C)O.O=S(=O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 10 |
| MolWt: | 430.47 | Num_heavy_atoms: | 28 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD46843
Formula: C10H20O3
Smiles:
C=CC(C)(O)CCC(O)C(C)(C)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 5 |
| MolWt: | 188.27 | Num_heavy_atoms: | 13 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
