Glycoside
GD009681
Name:
ErythromycinFormula:
C37H67O13NSmiles:
CCC1OC(=O)C(C)[C@H](O[C@@H]2C[C@@](C)(OC)C(O)C(C)O2)C(C)[C@H](O[C@@H]2OC(C)CC(N(C)C)C2O)[C@@](C)(O)CC(C)C(=O)[C@H](C)C(O)[C@]1(C)OAglycone:
CCC1OC(=O)C(C)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: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 733.94 | Num_heavy_atoms: | 51 |
| TPSA: | 193.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD00112
Formula: C29H53O10N
Smiles:
CCC1OC(=O)C(C)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: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 575.74 | Num_heavy_atoms: | 40 |
| TPSA: | 166.22 | NumAromaticRings: | 0 |
