Glycoside
GD010323
Name:
3-O-Feruloyl-1,2,6,-O-Triacetyl SucroseFormula:
C27H34O17Smiles:
CC(=O)OC[C@@H]1O[C@H](O[C@@]2(COC(C)=O)O[C@H](CO)[C@H](O)[C@H]2OC(=O)C=Cc2ccc(O)c(O)c2)[C@H](OC(C)=O)[C@H](O)[C@H]1OAglycone:
COC(C)=O.COC(C)=O.O=C(O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
CC(=O)OC1C(OC2(O)OC(CO)C(O)C2O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -2.01 | Num_rotatable_bonds: | 11 |
| MolWt: | 630.55 | Num_heavy_atoms: | 44 |
| TPSA: | 254.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
