Glycoside
GD152227
Name:
3-O-P-Coumaroyl-6-O-Feruloyl-Beta-D-Fructofuranosyl 6-O-Acetyl-Alpha-D-Gl+Formula:
C33H38O17Smiles:
COc1cc(C=CC(=O)OCC2OC(CO)(OC3OC(COC(C)=O)C(O)C(O)C3O)C(OC(=O)C=Cc3ccc(O)cc3)C2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.COC(C)=O.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1(OC2OC(O)C(O)C(O)C2O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 13 |
| MolWt: | 706.65 | Num_heavy_atoms: | 50 |
| TPSA: | 257.43 | NumAromaticRings: | 2 |
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 |
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
