Glycoside
GD070327
Name:
NoneFormula:
C17H22O4N6Smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N=C4CCCC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2N=C2CCCC2)[N]1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.59 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 4 |
| MolWt: | 374.4 | Num_heavy_atoms: | 27 |
| TPSA: | 134.75 | 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 |
AD29850
Formula: C10H10N5
Smiles:
C1=Nc2c(ncnc2N=C2CCCC2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 200.22 | Num_heavy_atoms: | 15 |
| TPSA: | 64.6 | NumAromaticRings: | 1 |
