Glycoside
GD080941
Name:
NoneFormula:
C13H19O6N5S2Smiles:
CCCS(=O)(=O)Nc1[nH]c(=S)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
CCCS(=O)(=O)Nc1[nH]c(=S)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 405.46 | Num_heavy_atoms: | 26 |
| TPSA: | 162.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD36544
Formula: C8H10O2N5S2
Smiles:
CCCS(=O)(=O)Nc1[nH]c(=S)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 272.33 | Num_heavy_atoms: | 17 |
| TPSA: | 101.31 | NumAromaticRings: | 1 |
