Glycoside
GD139017
Name:
7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-8-[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]-4H-chromen-4-oneFormula:
C28H32O15Smiles:
COc1cc(-c2coc3c(C4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)c(O)ccc3c2=O)ccc1OAglycone:
COc1cc(-c2coc3cc(O)ccc3c2=O)ccc1OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 608.55 | Num_heavy_atoms: | 43 |
| TPSA: | 249.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD07405
Formula: C16H12O5
Smiles:
COc1cc(-c2coc3cc(O)ccc3c2=O)ccc1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
