Glycoside
GD139226
Name:
1-methyl-3-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-1H-2-benzopyran-5-yl acetateFormula:
C18H28O10Smiles:
CC(=O)OC1CCC(OC2OC(CO)C(O)C(O)C2O)C2C(C)OC(=O)CC12Aglycone:
CC(=O)OC1CCC(O)C2C(C)OC(=O)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 4 |
| MolWt: | 404.41 | Num_heavy_atoms: | 28 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD56140
Formula: C12H18O5
Smiles:
CC(=O)OC1CCC(O)C2C(C)OC(=O)CC12| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 242.27 | Num_heavy_atoms: | 17 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
