Glycoside
GD115853
Name:
6-({7-hydroxy-5-[(2,3,4,5,6-pentahydroxyhexyl)oxy]-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl}oxy)hexane-1,2,3,4,5-pentolFormula:
C27H36O17Smiles:
OCC(O)C(O)C(O)C(O)COC1=C(c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(OCC(O)C(O)C(O)C(O)CO)c2C1Aglycone:
Oc1ccc2c(c1)OC(c1cc(O)c(O)c(O)c1)=CC2Sugarmoiety:
OCC(O)C(O)C(O)C(O)COO.OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 0.48 |
| AlogP: | -3.92 | Num_rotatable_bonds: | 15 |
| MolWt: | 632.57 | Num_heavy_atoms: | 44 |
| TPSA: | 310.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD45907
Formula: C15H12O5
Smiles:
Oc1ccc2c(c1)OC(c1cc(O)c(O)c(O)c1)=CC2| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 90.15 | NumAromaticRings: | 2 |
