Glycoside
GD154104
Name:
2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-7-{[4-hydroxy-4-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]oxy}-4H-chromen-4-oneFormula:
C26H28O16Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c(OC3OCC(O)(CO)C3OC3OC(CO)C(O)C(O)C3O)cc(O)c12Aglycone:
O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12Sugarmoiety:
OCC1OC(OC2C(O)OCC2(O)CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.42 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 596.49 | Num_heavy_atoms: | 42 |
| TPSA: | 269.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD10014
Formula: C15H10O7
Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
