Glycoside
GD036371
Name:
NoneFormula:
C24H28O8N8Smiles:
Nc1ncnc2c1nc(-c1ccccc1)n2[C@@H]1O[C@H](Cn2cc(COC[C@@H]3OC(O)[C@H](O)[C@H]3O)nn2)[C@H](O)[C@H]1OAglycone:
COCc1cn(C)nn1.Nc1ncnc2c1N=C(c1ccccc1)[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -2.06 | Num_rotatable_bonds: | 8 |
| MolWt: | 556.54 | Num_heavy_atoms: | 40 |
| TPSA: | 229.17 | NumAromaticRings: | 4 |
Unique Aglycone
AD05547
Formula: C11H8N5
Smiles:
Nc1ncnc2c1N=C(c1ccccc1)[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 210.22 | Num_heavy_atoms: | 16 |
| TPSA: | 78.26 | NumAromaticRings: | 2 |
AD18268
Formula: C5H9ON3
Smiles:
COCc1cn(C)nn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 127.15 | Num_heavy_atoms: | 9 |
| TPSA: | 39.94 | NumAromaticRings: | 1 |
