Glycoside
GD132288
Name:
methyl 5,6-bis(acetyloxy)-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C21H30O13Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)C(OC(C)=O)C(OC(C)=O)C12Aglycone:
COC(=O)C1=COC(O)C2C(C)C(OC(C)=O)C(OC(C)=O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 490.46 | Num_heavy_atoms: | 34 |
| TPSA: | 187.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD53551
Formula: C15H20O8
Smiles:
COC(=O)C1=COC(O)C2C(C)C(OC(C)=O)C(OC(C)=O)C12| HBA: | 8 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 328.32 | Num_heavy_atoms: | 23 |
| TPSA: | 108.36 | NumAromaticRings: | 0 |
