Glycoside
GD124193
Name:
2-(7-methyl-5-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydrocyclopenta[c]pyran-4-yl)acetic acidFormula:
C17H26O10Smiles:
CC1CC(=O)C2C(CC(=O)O)COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC1CC(=O)C2C(CC(=O)O)COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | -1.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 390.39 | Num_heavy_atoms: | 27 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD50153
Formula: C11H16O5
Smiles:
CC1CC(=O)C2C(CC(=O)O)COC(O)C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.24 | Num_heavy_atoms: | 16 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
