Glycoside
GD150256
Name:
3-(acetyloxy)-5-hydroxy-6-{[2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-5-yl]oxy}-2-methyloxan-4-yl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoateFormula:
C33H42O18Smiles:
COc1ccc(C=CC(=O)OC2C(O)C(OC3C4C=COC(OC5OC(CO)C(O)C(O)C5O)C4C4(CO)OC34)OC(C)C2OC(C)=O)cc1OAglycone:
COc1ccc(C=CC(=O)O)cc1O.OCC12OC1C(O)C1C=COC(O)C12Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -2.19 | Num_rotatable_bonds: | 11 |
| MolWt: | 726.68 | Num_heavy_atoms: | 51 |
| TPSA: | 262.12 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD12114
Formula: C10H10O4
Smiles:
COc1ccc(C=CC(=O)O)cc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
