Glycoside
GD119361
Name:
methyl 6-(benzoyloxy)-4a,7-dihydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C24H30O13Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1(O)CC(OC(=O)c1ccccc1)C2(C)OAglycone:
COC(=O)C1=COC(O)C2C1(O)CC(OC(=O)c1ccccc1)C2(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -2.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 526.49 | Num_heavy_atoms: | 37 |
| TPSA: | 201.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD47805
Formula: C18H20O8
Smiles:
COC(=O)C1=COC(O)C2C1(O)CC(OC(=O)c1ccccc1)C2(C)O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 364.35 | Num_heavy_atoms: | 26 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
