Glycoside
GD002803
Name:
DIRITHROMYCINFormula:
C42H78O14N2Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@H](C)[C@@H]2N[C@H](COCCOC)O[C@H]([C@H]2C)[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)C2NC(COCCOC)OC(C2C)C1(C)OSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.98 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 12 |
| MolWt: | 835.09 | Num_heavy_atoms: | 58 |
| TPSA: | 196.33 | NumAromaticRings: | 0 |
Unique Aglycone
AD02635
Formula: C34H64O11N2
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C2NC(COCCOC)OC(C2C)C1(C)O| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 676.89 | Num_heavy_atoms: | 47 |
| TPSA: | 168.64 | NumAromaticRings: | 0 |
