Glycoside
GD039981
Name:
Mycinamicin IFormula:
C37H61O12NSmiles:
CC[C@H]1OC(=O)C=C[C@H](C)[C@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@H](C)C[C@H](C)C(=O)C=C[C@H]2O[C@@H]2[C@@H]1CO[C@H]1O[C@H](C)[C@H](O)[C@H](OC)[C@@H]1OCAglycone:
CCC1OC(=O)C=CC(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)CC(C)C(=O)C=CC2OC2C1COSugarmoiety:
COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 9 |
| MolWt: | 711.89 | Num_heavy_atoms: | 50 |
| TPSA: | 154.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD24623
Formula: C29H47O8N
Smiles:
CCC1OC(=O)C=CC(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)CC(C)C(=O)C=CC2OC2C1CO| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 537.69 | Num_heavy_atoms: | 38 |
| TPSA: | 118.06 | NumAromaticRings: | 0 |