Glycoside
GD125531
Name:
5-ethenyl-1-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H,4aH,5H,6H-pyrano[3,4-c]pyran-3-yl 2-methylbutanoateFormula:
C21H30O11Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC(=O)C(C)CC)CC21Aglycone:
C=CC1C(O)OC=C2C(=O)OC(OC(=O)C(C)CC)CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 7 |
| MolWt: | 458.46 | Num_heavy_atoms: | 32 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD50768
Formula: C15H20O6
Smiles:
C=CC1C(O)OC=C2C(=O)OC(OC(=O)C(C)CC)CC21| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 296.32 | Num_heavy_atoms: | 21 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
