Glycoside
GD125739
Name:
5-methyl-2-[2-(5-methyl-3-oxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydrofuran-2-yl)propan-2-yl]-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydrofuran-3-oneFormula:
C25H36O16Smiles:
CC1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C(C(C)(C)C2OC(C)=C(OC3OC(CO)C(O)C(O)C3O)C2=O)O1Aglycone:
CC1=C(O)C(=O)C(C(C)(C)C2OC(C)=C(O)C2=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.76 |
| AlogP: | -3.96 | Num_rotatable_bonds: | 8 |
| MolWt: | 592.55 | Num_heavy_atoms: | 41 |
| TPSA: | 251.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD50862
Formula: C13H16O6
Smiles:
CC1=C(O)C(=O)C(C(C)(C)C2OC(C)=C(O)C2=O)O1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 2 |
| MolWt: | 268.26 | Num_heavy_atoms: | 19 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
