Glycoside
GD100675
Name:
NoneFormula:
C18H27O7N5S2Smiles:
COC(=O)CCS(=O)(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC(C)C)[C@@H](O)[C@H]1OAglycone:
COC(=O)CCS(=O)(=O)Nc1ncnc2c1N=C[N]2.CSCC(C)CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 10 |
| MolWt: | 489.58 | Num_heavy_atoms: | 32 |
| TPSA: | 165.76 | 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 |
AD39149
Formula: C9H10O4N5S
Smiles:
COC(=O)CCS(=O)(=O)Nc1ncnc2c1N=C[N]2| HBA: | 9 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 284.28 | Num_heavy_atoms: | 19 |
| TPSA: | 124.71 | NumAromaticRings: | 1 |
