Glycoside
GD027447
Name:
3-P-O-Coumaroyl-1,4,6'-O-Triacetyl SucroseFormula:
C27H34O16Smiles:
CC(=O)OC[C@@H]1O[C@H](O[C@@]2(COC(C)=O)O[C@H](CO)[C@H](OC(C)=O)[C@H]2OC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(C)=O.COC(C)=O.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
CC(=O)OC1C(CO)OC(O)(OC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.71 | Num_rotatable_bonds: | 11 |
| MolWt: | 614.55 | Num_heavy_atoms: | 43 |
| TPSA: | 234.04 | 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 |
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
