Glycoside
GD158402
Name:
Eryloside JFormula:
C50H81O16NSmiles:
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)C2N=C(C)O)C(C)(C)C1CC3)C(C)(C)CAglycone:
C=C(CCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)(C)CSugarmoiety:
CC(O)=NC1C(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.88 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 13 |
| MolWt: | 952.19 | Num_heavy_atoms: | 67 |
| TPSA: | 266.88 | NumAromaticRings: | 0 |
Unique Aglycone
AD06662
Formula: C32H52O3
Smiles:
C=C(CCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)(C)C| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 8.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 484.77 | Num_heavy_atoms: | 35 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
