Glycoside
GD015117
Name:
NoneFormula:
C22H26O5N6Smiles:
CCNc1nc(OCCc2c[nH]c3ccccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CCNc1nc(OCCc2c[nH]c3ccccc23)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 8 |
| MolWt: | 454.49 | Num_heavy_atoms: | 33 |
| TPSA: | 150.57 | NumAromaticRings: | 4 |
Unique Aglycone
AD11026
Formula: C17H17ON6
Smiles:
CCNc1nc(OCCc2c[nH]c3ccccc23)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 321.36 | Num_heavy_atoms: | 24 |
| TPSA: | 89.29 | NumAromaticRings: | 3 |
