Glycoside
GD098861
Name:
NoneFormula:
C14H18O5N5SISmiles:
COCNC(=S)Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
COCNC(=S)Nc1ncnc2c1C(I)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 495.3 | Num_heavy_atoms: | 26 |
| TPSA: | 133.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD42060
Formula: C9H9ON5SI
Smiles:
COCNC(=S)Nc1ncnc2c1C(I)=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 362.18 | Num_heavy_atoms: | 17 |
| TPSA: | 73.17 | NumAromaticRings: | 1 |
