Glycoside
GD052134
Name:
Caftaric AcidFormula:
C13H12O9Smiles:
O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@@H](O)C(=O)OAglycone:
O=CC=Cc1ccc(O)c(O)c1Sugarmoiety:
O=C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.15 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 312.23 | Num_heavy_atoms: | 22 |
| TPSA: | 161.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD03296
Formula: C9H8O3
Smiles:
O=CC=Cc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
