Glycoside
GD023737
Name:
Erythromycin BFormula:
C37H67O12NSmiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)[C@H](OC2OC(C)CC(N(C)C)C2O)[C@@](C)(O)C[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H]1CAglycone:
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)C1CSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 717.94 | Num_heavy_atoms: | 50 |
| TPSA: | 173.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD10021
Formula: C29H53O9N
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)C1C| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 559.74 | Num_heavy_atoms: | 39 |
| TPSA: | 145.99 | NumAromaticRings: | 0 |
