Glycoside
GD013304
Name:
NoneFormula:
C20H21O4N7Smiles:
NC(=O)c1cccc(C#CCNC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)c1Aglycone:
CNCC#Cc1cccc(C(N)=O)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.3 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 423.43 | Num_heavy_atoms: | 31 |
| TPSA: | 174.43 | 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 |
AD09946
Formula: C11H12ON2
Smiles:
CNCC#Cc1cccc(C(N)=O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.18 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 188.23 | Num_heavy_atoms: | 14 |
| TPSA: | 55.12 | NumAromaticRings: | 1 |
