Glycoside
GD131353
Name:
3-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-5-hydroxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C38H48O19Smiles:
CC(C)=CCc1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c2c(=O)c(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)c(-c3ccccc3)oc12Aglycone:
CC(C)=CCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccccc3)oc12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.55 |
| AlogP: | -2.12 | Num_rotatable_bonds: | 11 |
| MolWt: | 808.78 | Num_heavy_atoms: | 57 |
| TPSA: | 308.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD50969
Formula: C20H18O5
Smiles:
CC(C)=CCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccccc3)oc12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 338.36 | Num_heavy_atoms: | 25 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
