Glycoside
GD135573
Name:
Eryloside OFormula:
C54H87O20NSmiles:
C=C(CCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(OC2OCC(O)C(OC4OCC(OC5OCC(O)C(O)C5O)C(O)C4O)C2OC2OC(CO)C(O)C(O)C2N=C(C)O)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:
CC(O)=NC1C(OC2C(O)OCC(O)C2OC2OCC(OC3OCC(O)C(O)C3O)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.89 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 16 |
| MolWt: | 1070.28 | Num_heavy_atoms: | 75 |
| TPSA: | 325.8 | 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 |
