Glycoside
GD131541
Name:
Putorinoside BFormula:
C22H22O11Smiles:
COc1c(CO)c(OC2OC(CO)C(O)C(O)C2O)cc2c1C(=O)c1ccc(O)cc1C2=OAglycone:
COc1c(CO)c(O)cc2c1C(=O)c1ccc(O)cc1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.41 | Num_heavy_atoms: | 33 |
| TPSA: | 183.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD53287
Formula: C16H12O6
Smiles:
COc1c(CO)c(O)cc2c1C(=O)c1ccc(O)cc1C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 104.06 | NumAromaticRings: | 2 |
