Glycoside
GD032424
Name:
NoneFormula:
C23H27O4N7Smiles:
NCCC[C@H](C#Cc1cccc(C(N)=O)c1)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CC(C#Cc1cccc(C(N)=O)c1)CCCN.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.39 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 465.51 | Num_heavy_atoms: | 34 |
| TPSA: | 188.42 | 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 |
AD20799
Formula: C14H18ON2
Smiles:
CC(C#Cc1cccc(C(N)=O)c1)CCCN| HBA: | 3 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 230.31 | Num_heavy_atoms: | 17 |
| TPSA: | 69.11 | NumAromaticRings: | 1 |
