Glycoside
GD148718
Name:
5-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4-(3,4-dihydroxyphenyl)-7-hydroxy-2H-chromen-2-oneFormula:
C26H28O15Smiles:
O=c1cc(-c2ccc(O)c(O)c2)c2c(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)cc(O)cc2o1Aglycone:
O=c1cc(-c2ccc(O)c(O)c2)c2c(O)cc(O)cc2o1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.42 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 580.5 | Num_heavy_atoms: | 41 |
| TPSA: | 249.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD20933
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)c(O)c2)c2c(O)cc(O)cc2o1| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
