Glycoside
GD123382
Name:
6-{[6-(cyclohexyloxy)-5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C28H30O12Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC4CCCCC4)c(OC4OC(C(=O)O)C(O)C(O)C4O)cc3o2)cc1Aglycone:
COc1ccc(-c2cc(=O)c3c(O)c(OC4CCCCC4)c(O)cc3o2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 558.54 | Num_heavy_atoms: | 40 |
| TPSA: | 185.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD49784
Formula: C22H22O6
Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC4CCCCC4)c(O)cc3o2)cc1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.32 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 382.41 | Num_heavy_atoms: | 28 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
