Glycoside
GD031430
Name:
NoneFormula:
C23H26O6N8Smiles:
NC(=O)c1cccc(C#C[C@H](CC[C@H](N)C(=O)O)C[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)n1Aglycone:
CC(C#Cc1cccc(C(N)=O)n1)CCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.39 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 8 |
| MolWt: | 510.51 | Num_heavy_atoms: | 37 |
| TPSA: | 238.61 | NumAromaticRings: | 3 |
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 |
AD20249
Formula: C14H17O3N3
Smiles:
CC(C#Cc1cccc(C(N)=O)n1)CCC(N)C(=O)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 275.31 | Num_heavy_atoms: | 20 |
| TPSA: | 119.3 | NumAromaticRings: | 1 |
