Glycoside
GD073751
Name:
NoneFormula:
C16H24O5N6Smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(C)(C)O)ncnc32)[C@H](O)[C@@H]1OAglycone:
CC(C)(O)CNc1ncnc2c1N=C[N]2.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 380.41 | Num_heavy_atoms: | 27 |
| TPSA: | 154.65 | 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 |
AD28662
Formula: C9H12ON5
Smiles:
CC(C)(O)CNc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 206.23 | Num_heavy_atoms: | 15 |
| TPSA: | 84.5 | NumAromaticRings: | 1 |
