Glycoside
GD134581
Name:
2-({5-ethoxy-4a,6,7-trihydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C17H28O11Smiles:
CCOC1C(O)C(C)(O)C2C(OC3OC(CO)C(O)C(O)C3O)OC=CC12OAglycone:
CCOC1C(O)C(C)(O)C2C(O)OC=CC12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | -3.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 408.4 | Num_heavy_atoms: | 28 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD54445
Formula: C11H18O6
Smiles:
CCOC1C(O)C(C)(O)C2C(O)OC=CC12O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.26 | Num_heavy_atoms: | 17 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
