Glycoside
GD025964
Name:
XANTHOHUMOL-4'-O-BETA-D-GLUCOPYRANOSIDEFormula:
C27H32O10Smiles:
COc1cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(CC=C(C)C)c(O)c1C(=O)C=Cc1ccc(O)cc1Aglycone:
COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 9 |
| MolWt: | 516.54 | Num_heavy_atoms: | 37 |
| TPSA: | 166.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD14371
Formula: C21H22O5
Smiles:
COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)C=Cc1ccc(O)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 4.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 354.4 | Num_heavy_atoms: | 26 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
