Glycoside
GD033127
Name:
NoneFormula:
C34H33O9N11Smiles:
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)cc2)cc1)NCCNc1ccc([N+](=O)[O-])c2nonc12Aglycone:
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1)NCCNc1ccc([N+](=O)[O-])c2nonc12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.26 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 14 |
| MolWt: | 739.71 | Num_heavy_atoms: | 54 |
| TPSA: | 277.84 | NumAromaticRings: | 6 |
Unique Aglycone
AD21173
Formula: C29H24O5N11
Smiles:
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1)NCCNc1ccc([N+](=O)[O-])c2nonc12| HBA: | 16 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 3.53 | Num_rotatable_bonds: | 12 |
| MolWt: | 606.58 | Num_heavy_atoms: | 45 |
| TPSA: | 216.56 | NumAromaticRings: | 5 |
