Glycoside
GD036343
Name:
NoneFormula:
C29H39O11N9Smiles:
CCC(=O)Nc1cc(C(=O)NCc2cn([C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)nn2)cc(C(=O)NCc2cn([C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)nn2)c1Aglycone:
CCC(=O)Nc1cc(C(=O)NCC2=C[N]N=N2)cc(C(=O)NCC2=C[N]N=N2)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | -2.92 | Num_rotatable_bonds: | 10 |
| MolWt: | 689.68 | Num_heavy_atoms: | 49 |
| TPSA: | 288.56 | NumAromaticRings: | 3 |
Unique Aglycone
AD16319
Formula: C17H17O3N9
Smiles:
CCC(=O)Nc1cc(C(=O)NCC2=C[N]N=N2)cc(C(=O)NCC2=C[N]N=N2)c1| HBA: | 12 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 8 |
| MolWt: | 395.38 | Num_heavy_atoms: | 29 |
| TPSA: | 164.94 | NumAromaticRings: | 1 |
