Glycoside
GD128180
Name:
4-{[6-(acetyloxy)-3,4,5-trihydroxyoxan-2-yl]oxy}-6-{[5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-3-yl]oxy}-5-hydroxy-2-methyloxan-3-yl acetateFormula:
C36H42O17Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2OC2OC(C)C(OC(C)=O)C(OC3OC(OC(C)=O)C(O)C(O)C3O)C2O)cc1Aglycone:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O)cc1Sugarmoiety:
CC(=O)OC1OC(OC2C(O)C(O)OC(C)C2OC(C)=O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 10 |
| MolWt: | 746.72 | Num_heavy_atoms: | 53 |
| TPSA: | 250.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD10075
Formula: C21H20O6
Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 368.39 | Num_heavy_atoms: | 27 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
