Glycoside
GD153164
Name:
Sophodibenzoside IFormula:
C21H20O11Smiles:
O=C(C(=O)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1O)c1ccc2c(c1)OCO2Aglycone:
O=C(C(=O)c1ccc(O)cc1O)c1ccc2c(c1)OCO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 448.38 | Num_heavy_atoms: | 32 |
| TPSA: | 172.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD56747
Formula: C15H10O6
Smiles:
O=C(C(=O)c1ccc(O)cc1O)c1ccc2c(c1)OCO2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 93.06 | NumAromaticRings: | 2 |
