Glycoside
GD158102
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoateFormula:
C20H28O14Smiles:
COc1cc(C(=O)OC2OC(CO)C(O)C(O)C2O)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C(=O)O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.65 |
| AlogP: | -4.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 492.43 | Num_heavy_atoms: | 34 |
| TPSA: | 225.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD08832
Formula: C8H8O4
Smiles:
COc1cc(C(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
