Glycoside
GD120755
Name:
(5-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-6-yl)methyl 4-hydroxy-3-methoxybenzoateFormula:
C23H28O12Smiles:
COc1cc(C(=O)OCC2=CC3C(OC4OC(CO)C(O)C(O)C4O)OC=CC3C2O)ccc1OAglycone:
COc1cc(C(=O)OCC2=CC3C(O)OC=CC3C2O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 496.47 | Num_heavy_atoms: | 35 |
| TPSA: | 184.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD48547
Formula: C17H18O7
Smiles:
COc1cc(C(=O)OCC2=CC3C(O)OC=CC3C2O)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 334.32 | Num_heavy_atoms: | 24 |
| TPSA: | 105.45 | NumAromaticRings: | 1 |
