Glycoside
GD116104
Name:
6-(acetyloxy)-4-({[3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-7-hydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl 3-methylbutanoateFormula:
C25H38O13Smiles:
CC(=O)OC1C(OCC2=COC(OC(=O)CC(C)C)C3C2CC(OC(C)=O)C3(C)O)OC(CO)C(O)C1OAglycone:
CC(=O)OC1CC2C(CO)=COC(OC(=O)CC(C)C)C2C1(C)OSugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 546.57 | Num_heavy_atoms: | 38 |
| TPSA: | 187.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD46053
Formula: C17H26O7
Smiles:
CC(=O)OC1CC2C(CO)=COC(OC(=O)CC(C)C)C2C1(C)O| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 342.39 | Num_heavy_atoms: | 24 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
