Glycoside
GD147751
Name:
5-(3-ethyl-4-hydroxybutoxy)-2-(hydroxymethyl)-6-[4-(prop-2-en-1-yl)phenoxy]oxane-3,4-diolFormula:
C21H32O7Smiles:
C=CCc1ccc(OC2OC(CO)C(O)C(O)C2OCCC(CC)CO)cc1Aglycone:
C=CCc1ccc(O)cc1.CCC(CO)CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 11 |
| MolWt: | 396.48 | Num_heavy_atoms: | 28 |
| TPSA: | 108.61 | 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 |
AD59159
Formula: C6H14O2
Smiles:
CCC(CO)CCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 118.18 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
