Glycoside
GD148208
Name:
Sophodibenzoside HFormula:
C26H28O15Smiles:
O=C(C(=O)c1ccc(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)cc1O)c1ccc2c(c1)OCO2Aglycone:
O=C(C(=O)c1ccc(O)cc1O)c1ccc2c(c1)OCO2Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -2.17 | Num_rotatable_bonds: | 9 |
| MolWt: | 580.5 | Num_heavy_atoms: | 41 |
| TPSA: | 231.13 | 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 |
