Glycoside
GD147916
Name:
6-[(7-hydroperoxy-3,7-dimethylocta-1,5-dien-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl 2-methylbut-2-enoateFormula:
C21H34O9Smiles:
C=CC(C)(CC=CC(C)(C)OO)OC1OC(CO)C(OC(=O)C(C)=CC)C(O)C1OAglycone:
C=CC(C)(O)CC=CC(C)(C)OO.CC=C(C)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 10 |
| MolWt: | 430.49 | Num_heavy_atoms: | 30 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD00342
Formula: C5H8O2
Smiles:
CC=C(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD46625
Formula: C10H18O3
Smiles:
C=CC(C)(O)CC=CC(C)(C)OO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 186.25 | Num_heavy_atoms: | 13 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
