Glycoside
GD130184
Name:
1-(4a,5,7-trihydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl)propan-2-oneFormula:
C17H26O11Smiles:
CC(=O)CC1(O)CC(O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC(=O)CC1(O)CC(O)C2(O)C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -3.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 406.38 | Num_heavy_atoms: | 28 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD52750
Formula: C11H16O6
Smiles:
CC(=O)CC1(O)CC(O)C2(O)C=COC(O)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.24 | Num_heavy_atoms: | 17 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
