Glycoside
GD035782
Name:
NoneFormula:
C28H32O6N6Smiles:
O=C(NCCOCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O)C(c1ccccc1)c1ccccc1Aglycone:
O=C(NCCOCCNc1ncnc2c1N=C[N]2)C(c1ccccc1)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 12 |
| MolWt: | 548.6 | Num_heavy_atoms: | 40 |
| TPSA: | 163.88 | NumAromaticRings: | 4 |
Unique Aglycone
AD22620
Formula: C23H23O2N6
Smiles:
O=C(NCCOCCNc1ncnc2c1N=C[N]2)C(c1ccccc1)c1ccccc1| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 10 |
| MolWt: | 415.48 | Num_heavy_atoms: | 31 |
| TPSA: | 102.6 | NumAromaticRings: | 3 |
