Glycoside
GD151958
Name:
6-[4,5-dihydroxy-3-(hydroxymethyl)oxolan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]-4H-chromen-4-oneFormula:
C26H28O14Smiles:
O=c1cc(-c2ccc(O)cc2)oc2c(C3C(CO)OC(O)C(O)C3O)c(O)c(C3OC(O)C(O)C3CO)c(O)c12Aglycone:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1C(O)OC(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.42 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 564.5 | Num_heavy_atoms: | 40 |
| TPSA: | 250.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD00529
Formula: C15H10O5
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
