Glycoside
GD023421
Name:
NoneFormula:
C24H31O8N7Smiles:
O=C(CCCc1ccc([N+](=O)[O-])cc1)NCCOCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=C(CCCc1ccc([N+](=O)[O-])cc1)NCCOCCNc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 14 |
| MolWt: | 545.55 | Num_heavy_atoms: | 39 |
| TPSA: | 207.02 | NumAromaticRings: | 3 |
Unique Aglycone
AD15753
Formula: C19H22O4N7
Smiles:
O=C(CCCc1ccc([N+](=O)[O-])cc1)NCCOCCNc1ncnc2c1N=C[N]2| HBA: | 11 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.37 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 12 |
| MolWt: | 412.43 | Num_heavy_atoms: | 30 |
| TPSA: | 145.74 | NumAromaticRings: | 2 |
