Glycoside
GD118976
Name:
Eryloside MFormula:
C47H76O16Smiles:
C=C(CCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(OC2OCC(O)C(OC4OCC(O)C(O)C4O)C2OC2OC(CO)C(O)C(O)C2O)C(C)(C)C1CC3)C(C)CAglycone:
C=C(CCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)CSugarmoiety:
OCC1OC(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.89 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 13 |
| MolWt: | 897.11 | Num_heavy_atoms: | 63 |
| TPSA: | 254.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD05182
Formula: C31H50O3
Smiles:
C=C(CCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)C| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 7.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 470.74 | Num_heavy_atoms: | 34 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
