Glycoside
GD006418
Name:
6-O-Caffeoyl-Beta-D-Fructofuranosyl-(2->1)-Alpha-D-GlucopyranosideFormula:
C21H28O14Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC[C@@H]1O[C@H](O[C@@]2(CO)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(CO)(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.57 |
| AlogP: | -3.72 | Num_rotatable_bonds: | 8 |
| MolWt: | 504.44 | Num_heavy_atoms: | 35 |
| TPSA: | 236.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
