Glycoside
GD084014
Name:
NoneFormula:
C17H20O5N6SSmiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4csc(CO)c4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.OCc1cc(Nc2ncnc3c2N=C[N]3)cs1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 420.45 | Num_heavy_atoms: | 29 |
| TPSA: | 154.65 | 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 |
AD35970
Formula: C10H8ON5S
Smiles:
OCc1cc(Nc2ncnc3c2N=C[N]3)cs1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 246.28 | Num_heavy_atoms: | 17 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
