Glycoside
GD157687
Name:
methyl 7-(acetyloxy)-5-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C25H38O17Smiles:
COC(=O)C1=COC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C2C1C(O)CC2(C)OC(C)=OAglycone:
COC(=O)C1=COC(O)C2C1C(O)CC2(C)OC(C)=OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.84 |
| AlogP: | -4.64 | Num_rotatable_bonds: | 8 |
| MolWt: | 610.56 | Num_heavy_atoms: | 42 |
| TPSA: | 260.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD07054
Formula: C13H18O7
Smiles:
COC(=O)C1=COC(O)C2C1C(O)CC2(C)OC(C)=O| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.28 | Num_heavy_atoms: | 20 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
