Glycoside
GD126750
Name:
4-[2-hydroxy-5-(3-hydroxy-5,6-dimethoxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-2-yl)phenyl]-2-methylbutyl acetateFormula:
C30H36O14Smiles:
COc1c(OC2OC(CO)C(O)C(O)C2O)cc2oc(-c3ccc(O)c(CCC(C)COC(C)=O)c3)c(O)c(=O)c2c1OCAglycone:
COc1c(O)cc2oc(-c3ccc(O)c(CCC(C)COC(C)=O)c3)c(O)c(=O)c2c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 11 |
| MolWt: | 620.6 | Num_heavy_atoms: | 44 |
| TPSA: | 214.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD51300
Formula: C24H26O9
Smiles:
COc1c(O)cc2oc(-c3ccc(O)c(CCC(C)COC(C)=O)c3)c(O)c(=O)c2c1OC| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 3.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 458.46 | Num_heavy_atoms: | 33 |
| TPSA: | 135.66 | NumAromaticRings: | 3 |
