Glycoside
GD145317
Name:
4-({[3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-7-(hydroxymethyl)-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl 3-methylbutanoateFormula:
C23H36O11Smiles:
CC(=O)OC1C(OCC2=COC(OC(=O)CC(C)C)C3C(CO)CCC23)OC(CO)C(O)C1OAglycone:
CC(C)CC(=O)OC1OC=C(CO)C2CCC(CO)C12Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 9 |
| MolWt: | 488.53 | Num_heavy_atoms: | 34 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD46622
Formula: C15H24O5
Smiles:
CC(C)CC(=O)OC1OC=C(CO)C2CCC(CO)C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 284.35 | Num_heavy_atoms: | 20 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
