Glycoside
GD040533
Name:
Mycinamicin IiiFormula:
C36H59O11NSmiles:
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=CC=C[C@@H]1CO[C@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1OCAglycone:
CCC1OC(=O)C=CC(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)CC(C)C(=O)C=CC=CC1COSugarmoiety:
COC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 8 |
| MolWt: | 681.86 | Num_heavy_atoms: | 48 |
| TPSA: | 153.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD24493
Formula: C29H47O7N
Smiles:
CCC1OC(=O)C=CC(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)CC(C)C(=O)C=CC=CC1CO| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.72 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 521.7 | Num_heavy_atoms: | 37 |
| TPSA: | 105.53 | NumAromaticRings: | 0 |
