Glycoside
GD148741
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-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-5-hydroxy-2-methyloxan-3-yl acetateFormula:
C36H44O17Smiles:
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: | 0.53 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 10 |
| MolWt: | 748.73 | Num_heavy_atoms: | 53 |
| TPSA: | 246.43 | NumAromaticRings: | 2 |
Unique Aglycone
AD51729
Formula: C21H22O6
Smiles:
COc1ccc(C2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)C2O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 370.4 | Num_heavy_atoms: | 27 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
