Glycoside
GD158027
Name:
4,5-dihydroxy-6-[(3-phenylprop-2-en-1-yl)oxy]-2-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl benzoateFormula:
C28H34O11Smiles:
CC1OC(OCC2OC(OCC=Cc3ccccc3)C(O)C(O)C2OC(=O)c2ccccc2)C(O)C(O)C1OAglycone:
O=C(O)c1ccccc1.OCC=Cc1ccccc1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 9 |
| MolWt: | 546.57 | Num_heavy_atoms: | 39 |
| TPSA: | 164.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD05536
Formula: C9H10O
Smiles:
OCC=Cc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 2 |
| MolWt: | 134.18 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
