Glycoside
GD134646
Name:
6-{[3-(3,4-dihydroxyphenyl)-5,6,8-trihydroxy-1-oxo-1,4-dihydronaphthalen-2-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C22H20O13Smiles:
O=C1C(OC2OC(C(=O)O)C(O)C(O)C2O)=C(c2ccc(O)c(O)c2)Cc2c(O)c(O)cc(O)c21Aglycone:
O=C1C(O)=C(c2ccc(O)c(O)c2)Cc2c(O)c(O)cc(O)c21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.27 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 492.39 | Num_heavy_atoms: | 35 |
| TPSA: | 234.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD54464
Formula: C16H12O7
Smiles:
O=C1C(O)=C(c2ccc(O)c(O)c2)Cc2c(O)c(O)cc(O)c21| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.06 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 138.45 | NumAromaticRings: | 2 |
