Glycoside
GD134680
Name:
8-{[6-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5,17-trihydroxy-6-(hydroxymethyl)-14,18-dimethyl-3,10-dioxapentacyclo[9.8.0.0¹,â·.0â´,¹â¹.0¹³,¹â¸]nonadec-14-ene-9,16-dioneFormula:
C31H44O18Smiles:
CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(COC4OC(CO)C(O)C4O)C(O)C(O)C3O)C3C(CO)C(O)C4(O)OCC13C42Aglycone:
CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(O)C3C(CO)C(O)C4(O)OCC13C42Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.87 |
| AlogP: | -5.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 704.68 | Num_heavy_atoms: | 49 |
| TPSA: | 291.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD54477
Formula: C20H26O9
Smiles:
CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(O)C3C(CO)C(O)C4(O)OCC13C42| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 410.42 | Num_heavy_atoms: | 29 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
