Glycoside
GD031013
Name:
NoneFormula:
C18H24O4N6Smiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(NC4CC=CCC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=CCC(Nc2ncnc3c2N=C[N]3)CC1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 388.43 | Num_heavy_atoms: | 28 |
| TPSA: | 134.42 | NumAromaticRings: | 2 |
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 |
AD05032
Formula: C11H12N5
Smiles:
C1=CCC(Nc2ncnc3c2N=C[N]3)CC1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 2 |
| MolWt: | 214.25 | Num_heavy_atoms: | 16 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
