Glycoside
GD007928
Name:
[3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoateFormula:
C17H22O9Smiles:
C=C(CCO)C(=O)OC[C@@H]1O[C@H](Oc2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
C=C(CCO)C(=O)OC.Oc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 7 |
| MolWt: | 370.35 | Num_heavy_atoms: | 26 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD00519
Formula: C6H6O2
Smiles:
Oc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.11 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
AD02615
Formula: C6H10O3
Smiles:
C=C(CCO)C(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 130.14 | Num_heavy_atoms: | 9 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
