Glycoside
GD118424
Name:
3-[(3,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C33H40O14Smiles:
CC(C)=CCc1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c2c(=O)c(OC3OC(C)C(O)C(C)C3O)c(-c3ccc(O)cc3)oc12Aglycone:
CC(C)=CCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12Sugarmoiety:
CC1OC(O)C(O)C(C)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 8 |
| MolWt: | 660.67 | Num_heavy_atoms: | 47 |
| TPSA: | 228.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD09118
Formula: C20H18O6
Smiles:
CC(C)=CCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.15 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 354.36 | Num_heavy_atoms: | 26 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
