Glycoside
GD148776
Name:
2,6-dimethyl-8-{[3,4,5-trihydroxy-6-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oct-2-enoic acidFormula:
C25H34O10Smiles:
CC(=CCCC(C)CCOC1OC(COC(=O)C=Cc2ccc(O)cc2)C(O)C(O)C1O)C(=O)OAglycone:
CC(=CCCC(C)CCO)C(=O)O.COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 12 |
| MolWt: | 494.54 | Num_heavy_atoms: | 35 |
| TPSA: | 162.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD47050
Formula: C10H18O3
Smiles:
CC(=CCCC(C)CCO)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 186.25 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
