Glycoside
GD005452
Name:
ANTHELMYCINFormula:
C21H37O14N5Smiles:
Nc1ccn([C@@H]2O[C@H]([C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](N)[C@H]3O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H](N)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
Nc1ccn(C2OCC(N)C(O)C2O)c(=O)n1Sugarmoiety:
NC1C(O)C(CO)OC(OC(O)C(O)C(O)C(O)C(O)CO)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 16 | FractionCSP3: | 0.81 |
| AlogP: | -8.64 | Num_rotatable_bonds: | 10 |
| MolWt: | 583.55 | Num_heavy_atoms: | 40 |
| TPSA: | 342.94 | NumAromaticRings: | 1 |
Unique Aglycone
AD04633
Formula: C9H14O4N4
Smiles:
Nc1ccn(C2OCC(N)C(O)C2O)c(=O)n1| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -2.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 242.23 | Num_heavy_atoms: | 17 |
| TPSA: | 136.62 | NumAromaticRings: | 1 |
