Glycoside
GD143513
Name:
methyl 4a-hydroxy-7-(hydroxymethyl)-5-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C17H24O12Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)CC(=O)C12OAglycone:
COC(=O)C1=COC(O)C2C(CO)CC(=O)C12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | -3.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 420.37 | Num_heavy_atoms: | 29 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD57716
Formula: C11H14O7
Smiles:
COC(=O)C1=COC(O)C2C(CO)CC(=O)C12O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 258.23 | Num_heavy_atoms: | 18 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
