Glycoside
GD141679
Name:
7-[(acetyloxy)methyl]-6-hydroxy-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl 3-methylbutanoateFormula:
C23H36O12Smiles:
CC(=O)OCC1C(O)CC2C(COC3OC(CO)C(O)C(O)C3O)=COC(OC(=O)CC(C)C)C21Aglycone:
CC(=O)OCC1C(O)CC2C(CO)=COC(OC(=O)CC(C)C)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 504.53 | Num_heavy_atoms: | 35 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD46280
Formula: C17H26O7
Smiles:
CC(=O)OCC1C(O)CC2C(CO)=COC(OC(=O)CC(C)C)C21| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 342.39 | Num_heavy_atoms: | 24 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
