Glycoside
GD088814
Name:
NoneFormula:
C16H26O5N7SSmiles:
COCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC(=S)NCC[NH3+])ncnc21Aglycone:
COCCO.[NH3+]CCNC(=S)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -2.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 428.5 | Num_heavy_atoms: | 29 |
| TPSA: | 163.45 | 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 |
AD38859
Formula: C8H11N7S
Smiles:
[NH3+]CCNC(=S)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 237.29 | Num_heavy_atoms: | 16 |
| TPSA: | 103.94 | NumAromaticRings: | 1 |
