Glycoside
GD152497
Name:
Cimifugin-4'-O-[6''-Feruloyl]-Beta-D-Glucopyranoside.Formula:
C32H36O14Smiles:
COc1cc(C=CC(=O)OCC2OC(OCc3cc(=O)c4c(OC)c5c(cc4o3)OC(C(C)(C)O)C5)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.COc1c2c(cc3oc(CO)cc(=O)c13)OC(C(C)(C)O)C2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 10 |
| MolWt: | 644.63 | Num_heavy_atoms: | 46 |
| TPSA: | 203.81 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
AD12842
Formula: C16H18O6
Smiles:
COc1c2c(cc3oc(CO)cc(=O)c13)OC(C(C)(C)O)C2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 306.31 | Num_heavy_atoms: | 22 |
| TPSA: | 89.13 | NumAromaticRings: | 2 |
