Glycoside
GD118416
Name:
Eryloside WFormula:
C45H71O14NSmiles:
C=C(CCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(OC2OC(C(=O)O)C(O)C(O)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)OC(C(=O)O)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.84 |
| AlogP: | 4.51 | Num_rotatable_bonds: | 13 |
| MolWt: | 850.06 | Num_heavy_atoms: | 60 |
| TPSA: | 245.26 | 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 |
