Glycoside
GD002560
Name:
ARBEKACINFormula:
C22H44O10N6Smiles:
NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@H](O[C@@H]2O[C@H](CN)CC[C@H]2N)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](N)[C@H]1OAglycone:
NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)CCC2N)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 16 | FractionCSP3: | 0.95 |
| AlogP: | -6.4 | Num_rotatable_bonds: | 10 |
| MolWt: | 552.63 | Num_heavy_atoms: | 38 |
| TPSA: | 297.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD02431
Formula: C16H33O6N5
Smiles:
NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)CCC2N)C(O)C1O| HBA: | 11 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.94 |
| AlogP: | -4.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 391.47 | Num_heavy_atoms: | 27 |
| TPSA: | 212.33 | NumAromaticRings: | 0 |
