Glycoside
GD140547
Name:
Globuloside BFormula:
C38H46O19Smiles:
O=C(OC1C=C(COC(=O)c2ccccc2)C2C(OC3OC(CO)C(O)C(O)C3O)OC=CC12)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12Aglycone:
O=C(OC1C=C(COC(=O)c2ccccc2)C2C(O)OC=CC12)C1=COC(O)C2C(CO)=CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.58 |
| AlogP: | -2.77 | Num_rotatable_bonds: | 12 |
| MolWt: | 806.77 | Num_heavy_atoms: | 57 |
| TPSA: | 290.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD56667
Formula: C26H26O9
Smiles:
O=C(OC1C=C(COC(=O)c2ccccc2)C2C(O)OC=CC12)C1=COC(O)C2C(CO)=CCC12| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 482.49 | Num_heavy_atoms: | 35 |
| TPSA: | 131.75 | NumAromaticRings: | 1 |
