Glycoside
GD147348
Name:
5-[(1-hydroxyheptan-3-yl)oxy]-2-(hydroxymethyl)-6-[4-(prop-2-en-1-yl)phenoxy]oxane-3,4-diolFormula:
C22H34O7Smiles:
C=CCc1ccc(OC2OC(CO)C(O)C(O)C2OC(CCO)CCCC)cc1Aglycone:
C=CCc1ccc(O)cc1.CCCCC(O)CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 12 |
| MolWt: | 410.51 | Num_heavy_atoms: | 29 |
| 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 |
AD57553
Formula: C7H16O2
Smiles:
CCCCC(O)CCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 5 |
| MolWt: | 132.2 | Num_heavy_atoms: | 9 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
