Glycoside
GD120672
Name:
3-{3-[(4,6-dihydroxy-2-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl)oxy]-2-oxopropoxy}-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-oneFormula:
C36H44O17Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2OCC(=O)COC2C(C)OC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)cc1Aglycone:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2OCC(=O)CO)cc1Sugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 13 |
| MolWt: | 748.73 | Num_heavy_atoms: | 53 |
| TPSA: | 264.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD48503
Formula: C24H24O8
Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2OCC(=O)CO)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 440.45 | Num_heavy_atoms: | 32 |
| TPSA: | 126.43 | NumAromaticRings: | 3 |
