Glycoside
GD126271
Name:
1-{[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-methyl-5-oxo-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl acetateFormula:
C17H24O9Smiles:
CC(=O)OC1(C)CC(=O)C2C=COC(OC3CC(O)C(O)C(CO)O3)C21Aglycone:
CC(=O)OC1(C)CC(=O)C2C=COC(O)C21Sugarmoiety:
OCC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 372.37 | Num_heavy_atoms: | 26 |
| TPSA: | 131.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD51084
Formula: C11H14O5
Smiles:
CC(=O)OC1(C)CC(=O)C2C=COC(O)C21| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 226.23 | Num_heavy_atoms: | 16 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
