Glycoside
GD098037
Name:
NoneFormula:
C18H28O6N6S2Smiles:
COCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC(=S)NCCC[S@](C)=O)ncnc21Aglycone:
COCCO.CS(=O)CCCNC(=S)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 11 |
| MolWt: | 488.59 | Num_heavy_atoms: | 32 |
| TPSA: | 152.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD00384
Formula: C3H8O2
Smiles:
COCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 76.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
AD38798
Formula: C10H13ON6S2
Smiles:
CS(=O)CCCNC(=S)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 297.39 | Num_heavy_atoms: | 19 |
| TPSA: | 93.37 | NumAromaticRings: | 1 |
