Glycoside
GD150469
Name:
4-({[3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-6-hydroxy-7-(hydroxymethyl)-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl 3-methylbutanoateFormula:
C23H36O12Smiles:
CC(=O)OC1C(OCC2=COC(OC(=O)CC(C)C)C3C2CC(O)C3CO)OC(CO)C(O)C1OAglycone:
CC(C)CC(=O)OC1OC=C(CO)C2CC(O)C(CO)C12Sugarmoiety:
CC(=O)OC1C(O)OC(CO)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
AD08564
Formula: C15H24O6
Smiles:
CC(C)CC(=O)OC1OC=C(CO)C2CC(O)C(CO)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 300.35 | Num_heavy_atoms: | 21 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
