Glycoside
GD151161
Name:
4-hydroxy-3-methyl-2-oxo-10-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-6-carbaldehydeFormula:
C21H30O10Smiles:
CC1C(=O)OC2C=C(COC3OC(CO)C(O)C(O)C3O)CCC=C(C=O)CC(O)C21Aglycone:
CC1C(=O)OC2C=C(CO)CCC=C(C=O)CC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 442.46 | Num_heavy_atoms: | 31 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD60311
Formula: C15H20O5
Smiles:
CC1C(=O)OC2C=C(CO)CCC=C(C=O)CC(O)C21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 2 |
| MolWt: | 280.32 | Num_heavy_atoms: | 20 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
