Glycoside
GD033547
Name:
NoneFormula:
C24H28O5N8Smiles:
NC(=O)c1cccc(C#C[C@H](CC[C@H](N)C(N)=O)C[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)c1Aglycone:
CC(C#Cc1cccc(C(N)=O)c1)CCC(N)C(N)=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.38 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 8 |
| MolWt: | 508.54 | Num_heavy_atoms: | 37 |
| TPSA: | 231.51 | 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 |
AD21401
Formula: C15H19O2N3
Smiles:
CC(C#Cc1cccc(C(N)=O)c1)CCC(N)C(N)=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 273.34 | Num_heavy_atoms: | 20 |
| TPSA: | 112.2 | NumAromaticRings: | 1 |
