Glycoside
GD131384
Name:
2-{[5-hydroxy-7-(hydroxymethyl)-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C21H34O14Smiles:
OCC1CC(O)C2C=COC(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C12Aglycone:
OCC1CC(O)C2C=COC(O)C12Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | -4.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 510.49 | Num_heavy_atoms: | 35 |
| TPSA: | 228.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD53233
Formula: C9H14O4
Smiles:
OCC1CC(O)C2C=COC(O)C12| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 186.21 | Num_heavy_atoms: | 13 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
