Glycoside
GD118828
Name:
8-[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]-5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-oneFormula:
C28H32O15Smiles:
COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1C1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)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
AD06134
Formula: C16H12O5
Smiles:
COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1| 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 |
