Glycoside
GD001400
Name:
20-Oxo-5-O-Beta-MycaminosyltylactoneFormula:
C31H51O9NSmiles:
CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N(C)C)[C@H]2O)[C@H](CC=O)C[C@H](C)C(=O)C=CC(C)=C[C@H]1CAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1CSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 581.75 | Num_heavy_atoms: | 41 |
| TPSA: | 142.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD01411
Formula: C23H36O6
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1C| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 408.54 | Num_heavy_atoms: | 29 |
| TPSA: | 100.9 | NumAromaticRings: | 0 |
