Glycoside
GD130006
Name:
2-Carboxy-3,4'-Dihydroxybibenzyl 3'-O-6-D-GlucopyranosideFormula:
C21H24O10Smiles:
O=C(O)c1c(O)cccc1CCc1ccc(O)c(OC2OC(CO)C(O)C(O)C2O)c1Aglycone:
O=C(O)c1c(O)cccc1CCc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 436.41 | Num_heavy_atoms: | 31 |
| TPSA: | 177.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD52671
Formula: C15H14O5
Smiles:
O=C(O)c1c(O)cccc1CCc1ccc(O)c(O)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.27 | Num_heavy_atoms: | 20 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
