Glycoside
GD145377
Name:
7-acetyl-3-hydroxy-8-methyl-2-[(2,3,4,5,6-pentahydroxyhexyl)oxy]-6-oxabicyclo[3.2.1]octane-1-carboxylic acidFormula:
C17H28O11Smiles:
CC(=O)C1OC2CC(O)C(OCC(O)C(O)C(O)C(O)CO)C1(C(=O)O)C2CAglycone:
CC(=O)C1OC2CC(O)CC1(C(=O)O)C2CSugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | -3.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 408.4 | Num_heavy_atoms: | 28 |
| TPSA: | 194.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD58361
Formula: C11H16O5
Smiles:
CC(=O)C1OC2CC(O)CC1(C(=O)O)C2C| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.24 | Num_heavy_atoms: | 16 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
