Glycoside
GD150131
Name:
1-{[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,5-dihydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl acetateFormula:
C17H26O10Smiles:
CC(=O)OC1(C)CC(O)C2(O)C=COC(OC3OC(CO)CC(O)C3O)C12Aglycone:
CC(=O)OC1(C)CC(O)C2(O)C=COC(O)C12Sugarmoiety:
OCC1CC(O)C(O)C(O)O1Other Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.39 | Num_heavy_atoms: | 27 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD11842
Formula: C11H16O6
Smiles:
CC(=O)OC1(C)CC(O)C2(O)C=COC(O)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 244.24 | Num_heavy_atoms: | 17 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
