Glycoside
GD145274
Name:
5-(4-cyclohexylbutoxy)-2-(hydroxymethyl)-6-[4-(prop-2-en-1-yl)phenoxy]oxane-3,4-diolFormula:
C25H38O6Smiles:
C=CCc1ccc(OC2OC(CO)C(O)C(O)C2OCCCCC2CCCCC2)cc1Aglycone:
C=CCc1ccc(O)cc1.OCCCCC1CCCCC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 11 |
| MolWt: | 434.57 | Num_heavy_atoms: | 31 |
| TPSA: | 88.38 | 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 |
AD24144
Formula: C10H20O
Smiles:
OCCCCC1CCCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 156.27 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
