Glycoside
GD121275
Name:
Erythromycin FFormula:
C37H67O14NSmiles:
CCC1OC(=O)C(CO)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)OAglycone:
CCC1OC(=O)C(CO)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)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: | 3 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 8 |
| MolWt: | 749.94 | Num_heavy_atoms: | 52 |
| TPSA: | 214.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD48806
Formula: C29H53O11N
Smiles:
CCC1OC(=O)C(CO)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 591.74 | Num_heavy_atoms: | 41 |
| TPSA: | 186.45 | NumAromaticRings: | 0 |
