Glycoside
GD133009
Name:
5-(hydroxymethyl)-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2H,3H,3aH,4H,6aH-cyclopenta[b]furan-2-oneFormula:
C15H22O9Smiles:
O=C1CC2C(C=C(CO)C2COC2OC(CO)C(O)C(O)C2O)O1Aglycone:
O=C1CC2C(C=C(CO)C2CO)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | -2.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 346.33 | Num_heavy_atoms: | 24 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD53846
Formula: C9H12O4
Smiles:
O=C1CC2C(C=C(CO)C2CO)O1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
