Glycoside
GD011630
Name:
CARMINIC ACIDFormula:
C22H20O13Smiles:
Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(O)c(O)c1C2=OAglycone:
Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)cc(O)c(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.32 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 492.39 | Num_heavy_atoms: | 35 |
| TPSA: | 242.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD08866
Formula: C16H10O8
Smiles:
Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)cc(O)c(O)c1C2=O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 330.25 | Num_heavy_atoms: | 24 |
| TPSA: | 152.36 | NumAromaticRings: | 2 |
