Glycoside
GD147259
Name:
5-hydroxy-8-(3-hydroxy-3-methylbutyl)-3-(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C26H30O11Smiles:
CC(C)(O)CCc1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12Aglycone:
CC(C)(O)CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 518.52 | Num_heavy_atoms: | 37 |
| TPSA: | 190.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD58982
Formula: C20H20O6
Smiles:
CC(C)(O)CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 356.37 | Num_heavy_atoms: | 26 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
