Glycoside
GD132275
Name:
Anhydrosafflor Yellow BFormula:
C48H52O26Smiles:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C(O)(C2OC(CO)C(O)C(O)C2O)C(O)=C(C2C3=C(OC2C(O)C(O)C(O)CO)C(O)(C2OC(CO)C(O)C(O)C2O)C(O)=C(C(=O)C=Cc2ccc(O)cc2)C3=O)C1=OAglycone:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C(O)C(O)=C(C2COC3=C2C(=O)C(C(=O)C=Cc2ccc(O)cc2)=C(O)C3O)C1=OSugarmoiety:
OCC(O)C(O)C(O)O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 7 |
| HBD: | 19 | FractionCSP3: | 0.42 |
| AlogP: | -5.94 | Num_rotatable_bonds: | 15 |
| MolWt: | 1044.92 | Num_heavy_atoms: | 74 |
| TPSA: | 480.34 | NumAromaticRings: | 2 |
Unique Aglycone
AD53547
Formula: C32H24O12
Smiles:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C(O)C(O)=C(C2COC3=C2C(=O)C(C(=O)C=Cc2ccc(O)cc2)=C(O)C3O)C1=O| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.12 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 600.53 | Num_heavy_atoms: | 44 |
| TPSA: | 219.12 | NumAromaticRings: | 2 |
