Glycoside
GD100670
Name:
NoneFormula:
C18H29O6N5S2Smiles:
CCOCCS(=O)(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC(C)C)[C@@H](O)[C@H]1OAglycone:
CCOCCS(=O)(=O)Nc1ncnc2c1N=C[N]2.CSCC(C)CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.72 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 11 |
| MolWt: | 475.59 | Num_heavy_atoms: | 31 |
| TPSA: | 148.69 | NumAromaticRings: | 2 |
Unique Aglycone
AD00748
Formula: C5H12S
Smiles:
CSCC(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 104.22 | Num_heavy_atoms: | 6 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD39142
Formula: C9H12O3N5S
Smiles:
CCOCCS(=O)(=O)Nc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 270.29 | Num_heavy_atoms: | 18 |
| TPSA: | 107.64 | NumAromaticRings: | 1 |
