Glycoside
GD027866
Name:
NoneFormula:
C23H27O7N13Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@@H](Cn2cc(COC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)nn2)[C@H](O)[C@H]1OAglycone:
COCc1cn(C)nn1.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -3.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 597.55 | Num_heavy_atoms: | 43 |
| TPSA: | 278.56 | NumAromaticRings: | 5 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
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 |
