Glycoside
GD119713
Name:
3-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C39H50O18Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(OC4OC(CO)C(O)C(O)C4O)ccc3c(=O)c2OC2OC(C)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)cc1Aglycone:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)ccc3c(=O)c2O)cc1Sugarmoiety:
CC1OC(OC2C(O)OC(C)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.56 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 11 |
| MolWt: | 806.81 | Num_heavy_atoms: | 57 |
| TPSA: | 276.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD46036
Formula: C21H20O5
Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)ccc3c(=O)c2O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 4.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 352.39 | Num_heavy_atoms: | 26 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
