Glycoside
GD023918
Name:
methyl 6-hydroxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C17H26O11Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]1C[C@H](O)[C@H]2COAglycone:
COC(=O)C1=COC(O)C2C1CC(O)C2COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.82 |
| AlogP: | -3.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 406.38 | Num_heavy_atoms: | 28 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD16036
Formula: C11H16O6
Smiles:
COC(=O)C1=COC(O)C2C1CC(O)C2CO| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.24 | Num_heavy_atoms: | 17 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
