Glycoside
GD072560
Name:
NoneFormula:
C16H20O5N6Smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(/N=C4/CCOC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2N=C2CCOC2)[N]1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 376.37 | Num_heavy_atoms: | 27 |
| TPSA: | 143.98 | 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 |
AD28638
Formula: C9H8ON5
Smiles:
C1=Nc2c(ncnc2N=C2CCOC2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 202.2 | Num_heavy_atoms: | 15 |
| TPSA: | 73.83 | NumAromaticRings: | 1 |
