Glycoside
GD140069
Name:
7-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-oneFormula:
C25H26O13Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OCC(O)(CO)C3OC3OCC(O)(CO)C3O)cc(O)c12Aglycone:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1(O)COC(OC2C(O)OCC2(O)CO)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.4 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 7 |
| MolWt: | 534.47 | Num_heavy_atoms: | 38 |
| TPSA: | 208.74 | 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 |
