Glycoside
GD116588
Name:
Erythromicin CyclopentylpropionateFormula:
C45H79O14NSmiles:
CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2OC(=O)CCC2CCCC2)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)OAglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2OC(=O)CCC2CCCC2)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)OSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 4.31 | Num_rotatable_bonds: | 11 |
| MolWt: | 858.12 | Num_heavy_atoms: | 60 |
| TPSA: | 199.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD46327
Formula: C37H65O11N
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2OC(=O)CCC2CCCC2)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 699.92 | Num_heavy_atoms: | 49 |
| TPSA: | 172.29 | NumAromaticRings: | 0 |
