Glycoside
GD155643
Name:
methyl 6-chloro-4a,5,7-trihydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C18H25O12ClSmiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)(O)C(Cl)C(O)C12OAglycone:
COC(=O)C1=COC(O)C2C(C)(O)C(Cl)C(O)C12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -3.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 456.83 | Num_heavy_atoms: | 30 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD61720
Formula: C12H15O7Cl
Smiles:
COC(=O)C1=COC(O)C2C(C)(O)C(Cl)C(O)C12O| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 294.69 | Num_heavy_atoms: | 19 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
