Glycoside
GD091631
Name:
NoneFormula:
C14H15O6N5S3Smiles:
O=S(=O)(Nc1[nH]c(=S)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1cccs1Aglycone:
O=S(=O)(Nc1[nH]c(=S)nc2c1N=C[N]2)c1cccs1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 445.5 | Num_heavy_atoms: | 28 |
| TPSA: | 162.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD39972
Formula: C9H6O2N5S3
Smiles:
O=S(=O)(Nc1[nH]c(=S)nc2c1N=C[N]2)c1cccs1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 312.38 | Num_heavy_atoms: | 19 |
| TPSA: | 101.31 | NumAromaticRings: | 2 |
