Glycoside
GD124622
Name:
3-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2-(4-methylphenyl)-4H-chromen-4-oneFormula:
C32H38O13Smiles:
CC(C)=CCc1c(O)cc(O)c2c(=O)c(OC3OC(C)C(O)C(O)C3OC3OCC(O)C(O)C3O)c(-c3ccc(C)cc3)oc12Aglycone:
CC(C)=CCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(C)cc3)oc12Sugarmoiety:
CC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 630.64 | Num_heavy_atoms: | 45 |
| TPSA: | 208.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD50356
Formula: C21H20O5
Smiles:
CC(C)=CCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(C)cc3)oc12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 4.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 352.39 | Num_heavy_atoms: | 26 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
