Glycoside
GD008513
Name:
NoneFormula:
C39H58O10N12Smiles:
N=C(N)NCCC[C@H](NC(=O)[C@H](N)Cc1ccc(OCc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCCN)C(N)=OAglycone:
N=C(N)NCCCC(NC(=O)C(N)Cc1ccc(OCC2=C[N]N=N2)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCN)C(N)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 17 | FractionCSP3: | 0.51 |
| AlogP: | -3.73 | Num_rotatable_bonds: | 24 |
| MolWt: | 854.97 | Num_heavy_atoms: | 61 |
| TPSA: | 374.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD06793
Formula: C33H47O5N12
Smiles:
N=C(N)NCCCC(NC(=O)C(N)Cc1ccc(OCC2=C[N]N=N2)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCN)C(N)=O| HBA: | 17 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.42 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 22 |
| MolWt: | 691.82 | Num_heavy_atoms: | 50 |
| TPSA: | 292.38 | NumAromaticRings: | 2 |
