Glycoside
GD141154
Name:
(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2-{[3,4-bis(acetyloxy)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxybenzoateFormula:
C30H36O17Smiles:
CC(=O)OC1C(Oc2cccc(O)c2C(=O)OCc2ccccc2OC2OC(CO)C(O)C(O)C2O)OC(CO)C(O)C1OC(C)=OAglycone:
O=C(OCc1ccccc1O)c1c(O)cccc1OSugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OC(C)=O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 11 |
| MolWt: | 668.6 | Num_heavy_atoms: | 47 |
| TPSA: | 257.43 | NumAromaticRings: | 2 |
Unique Aglycone
AD19085
Formula: C14H12O5
Smiles:
O=C(OCc1ccccc1O)c1c(O)cccc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 260.24 | Num_heavy_atoms: | 19 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
