Glycoside
GD131120
Name:
6-{[7-(hydroxymethyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-1-yl]oxy}-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrolFormula:
C21H32O14Smiles:
OCC1=CCC2C=COC(OC3OC(O)(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C12Aglycone:
OCC1=CCC2C=COC(O)C12Sugarmoiety:
OCC1OC(OCC2(O)OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.81 |
| AlogP: | -4.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 508.47 | Num_heavy_atoms: | 35 |
| TPSA: | 228.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD20912
Formula: C9H12O3
Smiles:
OCC1=CCC2C=COC(O)C12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.19 | Num_heavy_atoms: | 12 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
