Glycoside
GD077912
Name:
NoneFormula:
C16H18O4N6SSmiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccsc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2Nc2ccsc2)[N]1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 390.43 | Num_heavy_atoms: | 27 |
| TPSA: | 134.42 | 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 |
AD35697
Formula: C9H6N5S
Smiles:
C1=Nc2c(ncnc2Nc2ccsc2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 216.25 | Num_heavy_atoms: | 15 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
