Glycoside
GD117907
Name:
Safflomin CFormula:
C30H30O14Smiles:
O=C(O)CC(C1=C(O)C(O)(C2OC(CO)C(O)C(O)C2O)C(=O)C(C(=O)C=Cc2ccc(O)cc2)=C1O)c1ccc(O)cc1Aglycone:
O=C(O)CC(C1=C(O)C(O)C(=O)C(C(=O)C=Cc2ccc(O)cc2)=C1O)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.3 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 614.56 | Num_heavy_atoms: | 44 |
| TPSA: | 262.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD47079
Formula: C24H20O9
Smiles:
O=C(O)CC(C1=C(O)C(O)C(=O)C(C(=O)C=Cc2ccc(O)cc2)=C1O)c1ccc(O)cc1| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.12 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 452.42 | Num_heavy_atoms: | 33 |
| TPSA: | 172.59 | NumAromaticRings: | 2 |
