Glycoside
GD156058
Name:
methyl 7-(acetyloxy)-1-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C25H38O16Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C2C1CCC2(C)OC(C)=OAglycone:
COC(=O)C1=COC(O)C2C1CCC2(C)OC(C)=OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.84 |
| AlogP: | -3.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 594.56 | Num_heavy_atoms: | 41 |
| TPSA: | 240.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD45362
Formula: C13H18O6
Smiles:
COC(=O)C1=COC(O)C2C1CCC2(C)OC(C)=O| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 270.28 | Num_heavy_atoms: | 19 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
