Glycoside
GD004682
Name:
ERYTHROMYCIN ESTOLATEFormula:
C40H71O14NSmiles:
CCC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H](C)[C@H](O[C@@H]3C[C@@](C)(OC)[C@H](O)[C@H](C)O3)[C@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H](C)C(=O)[C@H](C)C[C@]2(C)O)O[C@H](C)C[C@H]1N(C)CAglycone:
CCC(=O)OC1C(OC2C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)CSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 9 |
| MolWt: | 790.0 | Num_heavy_atoms: | 55 |
| TPSA: | 199.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD04057
Formula: C32H57O11N
Smiles:
CCC(=O)OC1C(OC2C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 631.8 | Num_heavy_atoms: | 44 |
| TPSA: | 172.29 | NumAromaticRings: | 0 |
