Glycoside
GD122168
Name:
2-(hydroxymethyl)-6-{[7-(hydroxymethyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1H,4aH,5H,7aH-cyclopenta[c]pyran-1-yl]oxy}oxane-3,4,5-triolFormula:
C20H30O13Smiles:
OCC1=CC(OC2OCC(O)C(O)C2O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
OCC1=CC(O)C2C=COC(O)C12Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.8 |
| AlogP: | -4.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 478.45 | Num_heavy_atoms: | 33 |
| TPSA: | 207.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD06320
Formula: C9H12O4
Smiles:
OCC1=CC(O)C2C=COC(O)C12| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
