Glycoside
GD005464
Name:
BUTIKACINFormula:
C22H45O12N5Smiles:
NCC[C@H](O)CN[C@@H]1C[C@H](N)[C@H](O[C@@H]2O[C@H](CN)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](N)[C@H]1OAglycone:
NCCC(O)CNC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1O.NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 17 | FractionCSP3: | 1.0 |
| AlogP: | -7.95 | Num_rotatable_bonds: | 11 |
| MolWt: | 571.63 | Num_heavy_atoms: | 39 |
| TPSA: | 314.87 | NumAromaticRings: | 0 |
Unique Aglycone
AD04643
Formula: C10H23O4N3
Smiles:
NCCC(O)CNC1CC(N)C(O)C(O)C1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -3.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 249.31 | Num_heavy_atoms: | 17 |
| TPSA: | 144.99 | NumAromaticRings: | 0 |
