Glycoside
GD121065
Name:
5-(4-cyclopentylbutoxy)-2-(hydroxymethyl)-6-[4-(prop-2-en-1-yl)phenoxy]oxane-3,4-diolFormula:
C24H36O6Smiles:
C=CCc1ccc(OC2OC(CO)C(O)C(O)C2OCCCCC2CCCC2)cc1Aglycone:
C=CCc1ccc(O)cc1.OCCCCC1CCCC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 11 |
| MolWt: | 420.55 | Num_heavy_atoms: | 30 |
| 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 |
AD48699
Formula: C9H18O
Smiles:
OCCCCC1CCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 142.24 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
