Glycoside
GD140565
Name:
4-({[3,4-bis(acetyloxy)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-7-hydroxy-7-(hydroxymethyl)-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl 3-methylbutanoateFormula:
C25H38O13Smiles:
CC(=O)OC1C(OCC2=COC(OC(=O)CC(C)C)C3C2CCC3(O)CO)OC(CO)C(O)C1OC(C)=OAglycone:
CC(C)CC(=O)OC1OC=C(CO)C2CCC(O)(CO)C12Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 10 |
| MolWt: | 546.57 | Num_heavy_atoms: | 38 |
| TPSA: | 187.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD05245
Formula: C15H24O6
Smiles:
CC(C)CC(=O)OC1OC=C(CO)C2CCC(O)(CO)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 300.35 | Num_heavy_atoms: | 21 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
