Glycoside
GD133068
Name:
(7-methyl-1-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-yl)methyl acetateFormula:
C26H36O13Smiles:
CC(=O)OCC1=COC(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C2C(C)CCC12Aglycone:
CC(=O)OCC1=COC(O)C2C(C)CCC12.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.73 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 9 |
| MolWt: | 556.56 | Num_heavy_atoms: | 39 |
| TPSA: | 159.19 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD53865
Formula: C12H18O4
Smiles:
CC(=O)OCC1=COC(O)C2C(C)CCC12| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 226.27 | Num_heavy_atoms: | 16 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
