Glycoside
GD156175
Name:
7-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-3-(4-hydroxyphenyl)-8-methoxy-4H-chromen-4-oneFormula:
C27H30O15Smiles:
COc1c(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12Aglycone:
COc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 8 |
| MolWt: | 594.52 | Num_heavy_atoms: | 42 |
| TPSA: | 238.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD58804
Formula: C16H12O6
Smiles:
COc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
