Glycoside
GD129465
Name:
2-hydroxy-5-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)benzoic acidFormula:
C20H20O11Smiles:
O=C(Oc1ccc(O)c(C(=O)O)c1)c1cccc(OC2OC(CO)C(O)C(O)C2O)c1Aglycone:
O=C(Oc1ccc(O)c(C(=O)O)c1)c1cccc(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 436.37 | Num_heavy_atoms: | 31 |
| TPSA: | 183.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD52445
Formula: C14H10O6
Smiles:
O=C(Oc1ccc(O)c(C(=O)O)c1)c1cccc(O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 274.23 | Num_heavy_atoms: | 20 |
| TPSA: | 104.06 | NumAromaticRings: | 2 |
