Glycoside
GD131068
Name:
2,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)hexanedioic acidFormula:
C13H14O12Smiles:
O=C(OC(C(=O)O)C(O)C(O)C(O)C(=O)O)c1cc(O)c(O)c(O)c1Aglycone:
O=Cc1cc(O)c(O)c(O)c1Sugarmoiety:
O=C(O)C(O)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.31 |
| AlogP: | -2.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 362.24 | Num_heavy_atoms: | 25 |
| TPSA: | 222.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD02035
Formula: C7H6O4
Smiles:
O=Cc1cc(O)c(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.12 | Num_heavy_atoms: | 11 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
