Glycoside
GD134633
Name:
4-(acetyloxy)-2-[(10-{[3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-5-yl)oxy]-5-hydroxy-6-methyloxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C34H42O18Smiles:
CC(=O)OC1C(OC2OC=CC3C(OC4OC(C)C(O)C(OC(C)=O)C4OC(=O)C=Cc4ccc(O)cc4)C4OC4(CO)C23)OC(CO)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)cc1.OCC12OC1C(O)C1C=COC(O)C12Sugarmoiety:
CC(=O)OC1C(O)C(C)OC(O)C1O.CC(=O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 11 |
| MolWt: | 738.69 | Num_heavy_atoms: | 52 |
| TPSA: | 258.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | 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 |
