Glycoside
GD157248
Name:
[6-(acetyloxy)-7-hydroxy-4-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl]methyl acetateFormula:
C20H30O12Smiles:
CC(=O)OCC1(O)C(OC(C)=O)CC2C(C)=COC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC(=O)OCC1(O)C(OC(C)=O)CC2C(C)=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 462.45 | Num_heavy_atoms: | 32 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD62186
Formula: C14H20O7
Smiles:
CC(=O)OCC1(O)C(OC(C)=O)CC2C(C)=COC(O)C21| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 300.31 | Num_heavy_atoms: | 21 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
