Glycoside
GD029460
Name:
NoneFormula:
C23H27O8N13Smiles:
Nc1nc2c(ncn2[C@@H]2O[C@H](COCc3cn(C[C@@H]4O[C@H](n5cnc6c(N)ncnc65)[C@H](O)[C@H]4O)nn3)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COCc1cn(C)nn1.Nc1nc2c(c(=O)[nH]1)N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -3.83 | Num_rotatable_bonds: | 8 |
| MolWt: | 613.55 | Num_heavy_atoms: | 44 |
| TPSA: | 298.53 | 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 |
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | 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 |
