Glycoside
GD121381
Name:
5-hydroxy-7-(hydroxymethyl)-1-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C16H22O11Smiles:
O=C(O)C1=COC(OC2C(CO)OC(O)C(O)C2O)C2C(CO)=CC(O)C12Aglycone:
O=C(O)C1=COC(O)C2C(CO)=CC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.69 |
| AlogP: | -3.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 390.34 | Num_heavy_atoms: | 27 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD06108
Formula: C10H12O6
Smiles:
O=C(O)C1=COC(O)C2C(CO)=CC(O)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.2 | Num_heavy_atoms: | 16 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
