Glycoside
GD027046
Name:
NoneFormula:
C24H27O5N7Smiles:
NC(=O)CCC[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)CCCC(N)=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.38 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 493.52 | Num_heavy_atoms: | 36 |
| TPSA: | 205.49 | 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 |
AD17798
Formula: C15H18O2N2
Smiles:
CC(C#Cc1cccc(C(N)=O)c1)CCCC(N)=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 258.32 | Num_heavy_atoms: | 19 |
| TPSA: | 86.18 | NumAromaticRings: | 1 |
