Glycoside
GD158380
Name:
5-[(5-ethyl-1,6-dihydroxyhexan-3-yl)oxy]-2-(hydroxymethyl)-6-[4-(prop-2-en-1-yl)phenoxy]oxane-3,4-diolFormula:
C23H36O8Smiles:
C=CCc1ccc(OC2OC(CO)C(O)C(O)C2OC(CCO)CC(CC)CO)cc1Aglycone:
C=CCc1ccc(O)cc1.CCC(CO)CC(O)CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 13 |
| MolWt: | 440.53 | Num_heavy_atoms: | 31 |
| TPSA: | 128.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD00473
Formula: C9H10O
Smiles:
C=CCc1ccc(O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 134.18 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD62526
Formula: C8H18O3
Smiles:
CCC(CO)CC(O)CCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 162.23 | Num_heavy_atoms: | 11 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
