Glycoside
GD150391
Name:
4-hydroxy-2,5-bis(hydroxymethyl)-2-{[3,4,5-trihydroxy-6-({[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxolan-3-yl 4-hydroxybenzoateFormula:
C31H38O17Smiles:
COc1cc(C=CC(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3OC(=O)c3ccc(O)cc3)C(O)C(O)C2O)cc(OC)c1OCAglycone:
COC(=O)C=Cc1cc(OC)c(OC)c(OC)c1.O=C(O)c1ccc(O)cc1Sugarmoiety:
OCC1OC(CO)(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 13 |
| MolWt: | 682.63 | Num_heavy_atoms: | 48 |
| TPSA: | 249.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD02360
Formula: C7H6O3
Smiles:
O=C(O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.12 | Num_heavy_atoms: | 10 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD17795
Formula: C13H16O5
Smiles:
COC(=O)C=Cc1cc(OC)c(OC)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.31 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 252.27 | Num_heavy_atoms: | 18 |
| TPSA: | 53.99 | NumAromaticRings: | 1 |
