Glycoside
GD151297
Name:
Safflor Yellow BFormula:
C48H54O27Smiles:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C(O)(C2OC(CO)C(O)C(O)C2O)C(O)=C(C(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)C=Cc3ccc(O)cc3)C2=O)C(O)C(O)C(O)C(O)CO)C1=OAglycone:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C(O)C(O)=C(CC2=C(O)C(O)C(O)=C(C(=O)C=Cc3ccc(O)cc3)C2=O)C1=OSugarmoiety:
OCC(O)C(O)C(O)C(O)O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 6 |
| HBD: | 21 | FractionCSP3: | 0.42 |
| AlogP: | -6.42 | Num_rotatable_bonds: | 17 |
| MolWt: | 1062.93 | Num_heavy_atoms: | 75 |
| TPSA: | 511.57 | NumAromaticRings: | 2 |
Unique Aglycone
AD60355
Formula: C31H24O12
Smiles:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C(O)C(O)=C(CC2=C(O)C(O)C(O)=C(C(=O)C=Cc3ccc(O)cc3)C2=O)C1=O| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.1 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 8 |
| MolWt: | 588.52 | Num_heavy_atoms: | 43 |
| TPSA: | 230.12 | NumAromaticRings: | 2 |
