Glycoside
GD144175
Name:
2-(4,7a-dimethyl-1-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-2-benzofuran-4-yl)-6-hydroxy-6-(hydroxymethyl)bicyclo[3.2.1]octane-1-carbaldehydeFormula:
C26H40O11Smiles:
CC12CCCC(C)(C3CCC4CC3(C=O)CC4(O)CO)C1C(OC1OC(CO)C(O)C(O)C1O)OC2=OAglycone:
CC12CCCC(C)(C3CCC4CC3(C=O)CC4(O)CO)C1C(O)OC2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 528.6 | Num_heavy_atoms: | 37 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD57954
Formula: C20H30O6
Smiles:
CC12CCCC(C)(C3CCC4CC3(C=O)CC4(O)CO)C1C(O)OC2=O| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 366.45 | Num_heavy_atoms: | 26 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
