Glycoside
GD005339
Name:
NoneFormula:
C16H20O7N6SSmiles:
CN(Cc1ccco1)c1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]1OAglycone:
CN(Cc1ccco1)c1ncnc2c1N=C[N]2.COS(N)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 440.44 | Num_heavy_atoms: | 30 |
| TPSA: | 179.06 | NumAromaticRings: | 3 |
Unique Aglycone
AD00036
Formula: CH5O3NS
Smiles:
COS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.39 | NumAromaticRings: | 0 |
AD04552
Formula: C11H10ON5
Smiles:
CN(Cc1ccco1)c1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 228.23 | Num_heavy_atoms: | 17 |
| TPSA: | 68.62 | NumAromaticRings: | 2 |
