Glycoside
GD151649
Name:
5-hydroxy-4-(2-hydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyl)benzene-1,3-dicarboxylic acidFormula:
C21H20O13Smiles:
O=C(O)c1cc(O)c(C(=O)c2c(O)cccc2OC2OC(CO)C(O)C(O)C2O)c(C(=O)O)c1Aglycone:
O=C(O)c1cc(O)c(C(=O)c2c(O)cccc2O)c(C(=O)O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.29 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 480.38 | Num_heavy_atoms: | 34 |
| TPSA: | 231.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD60454
Formula: C15H10O8
Smiles:
O=C(O)c1cc(O)c(C(=O)c2c(O)cccc2O)c(C(=O)O)c1| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 318.24 | Num_heavy_atoms: | 23 |
| TPSA: | 152.36 | NumAromaticRings: | 2 |
