Glycoside
GD151150
Name:
(3,4,5-trihydroxy-6-{[5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-10-yl]oxy}oxan-2-yl)methyl 4-hydroxy-3-methoxybenzoateFormula:
C23H28O13Smiles:
COc1cc(C(=O)OCC2OC(OC3OC=CC4C(O)C5OC5(CO)C34)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)c1ccc(O)c(OC)c1.OCC12OC1C(O)C1C=COC(O)C12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.61 |
| AlogP: | -2.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 512.46 | Num_heavy_atoms: | 36 |
| TPSA: | 197.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD00095
Formula: C9H10O4
Smiles:
COC(=O)c1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD04913
Formula: C9H12O5
Smiles:
OCC12OC1C(O)C1C=COC(O)C12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 200.19 | Num_heavy_atoms: | 14 |
| TPSA: | 82.45 | NumAromaticRings: | 0 |
