Glycoside
GD134771
Name:
4-hydroxy-2-{[4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,5-bis(hydroxymethyl)oxolan-3-yl 3-(4-hydroxy-2,5-dimethoxyphenyl)prop-2-enoateFormula:
C29H42O19Smiles:
COc1cc(C=CC(=O)OC2C(O)C(CO)OC2(CO)OC2CC(O)C(OC3OC(CO)C(O)C(O)C3O)C(CO)O2)c(OC)cc1OAglycone:
COc1cc(C=CC(=O)O)c(OC)cc1OSugarmoiety:
OCC1OC(OC2C(O)CC(OC3(CO)OC(CO)C(O)C3O)OC2CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.69 |
| AlogP: | -4.56 | Num_rotatable_bonds: | 13 |
| MolWt: | 694.64 | Num_heavy_atoms: | 48 |
| TPSA: | 293.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD50610
Formula: C11H12O5
Smiles:
COc1cc(C=CC(=O)O)c(OC)cc1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 224.21 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
