Glycoside
GD133108
Name:
4'-O-[2'-O-E-Feruloyl-O-Beta-D-Glucuronopyranosyl(1-2)-O-Beta-D-Glucopyra+Formula:
C37H34O20Smiles:
COc1cc(C=CC(=O)OC2C(OC3C(Oc4ccc(-c5cc(=O)c6c(O)cc(O)cc6o5)cc4)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)ccc1OAglycone:
COc1cc(C=CC(=O)O)ccc1O.O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
O=C(O)C1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.3 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 11 |
| MolWt: | 798.66 | Num_heavy_atoms: | 57 |
| TPSA: | 318.87 | NumAromaticRings: | 4 |
Unique Aglycone
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD00529
Formula: C15H10O5
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
