Glycoside
GD122865
Name:
7-(hydroxymethyl)-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:
C21H34O10Smiles:
CC(C)CC(=O)OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C2CCC(CO)C12Aglycone:
CC(C)CC(=O)OC1OC=C(CO)C2CCC(CO)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 446.49 | Num_heavy_atoms: | 31 |
| TPSA: | 155.14 | 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 |
