Glycoside
GD131982
Name:
2-hydroxy-1-[7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-yl]ethan-1-oneFormula:
C17H24O10Smiles:
O=C(CO)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12Aglycone:
O=C(CO)C1=COC(O)C2C(CO)=CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -2.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 388.37 | Num_heavy_atoms: | 27 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD53445
Formula: C11H14O5
Smiles:
O=C(CO)C1=COC(O)C2C(CO)=CCC12| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 226.23 | Num_heavy_atoms: | 16 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
