Glycoside
GD125257
Name:
methyl 5,6-bis(acetyloxy)-7-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C21H30O14Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C(OC(C)=O)C(OC(C)=O)C2(C)OAglycone:
COC(=O)C1=COC(O)C2C1C(OC(C)=O)C(OC(C)=O)C2(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | -2.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 506.46 | Num_heavy_atoms: | 35 |
| TPSA: | 207.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD50652
Formula: C15H20O9
Smiles:
COC(=O)C1=COC(O)C2C1C(OC(C)=O)C(OC(C)=O)C2(C)O| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 344.32 | Num_heavy_atoms: | 24 |
| TPSA: | 128.59 | NumAromaticRings: | 0 |
