Glycoside
GD122536
Name:
6-[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]-7-hydroxy-5-methyl-2-(2-oxopropyl)-4H-chromen-4-oneFormula:
C25H32O14Smiles:
CC(=O)Cc1cc(=O)c2c(C)c(C3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)c(O)cc2o1Aglycone:
CC(=O)Cc1cc(=O)c2c(C)cc(O)cc2o1Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.6 |
| AlogP: | -2.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 556.52 | Num_heavy_atoms: | 39 |
| TPSA: | 236.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD06372
Formula: C13H12O4
Smiles:
CC(=O)Cc1cc(=O)c2c(C)cc(O)cc2o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 232.23 | Num_heavy_atoms: | 17 |
| TPSA: | 67.51 | NumAromaticRings: | 2 |
