Glycoside
GD103914
Name:
NoneFormula:
C20H20O5N8Smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(C#N)cc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.N#Cc1ccc(NC(=O)Nc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.43 | Num_heavy_atoms: | 33 |
| TPSA: | 187.31 | NumAromaticRings: | 3 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD38108
Formula: C13H8ON7
Smiles:
N#Cc1ccc(NC(=O)Nc2ncnc3c2N=C[N]3)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 278.25 | Num_heavy_atoms: | 21 |
| TPSA: | 117.16 | NumAromaticRings: | 2 |
