Glycoside
GD081114
Name:
NoneFormula:
C13H17O6N5S2Smiles:
O=S(=O)(Nc1[nH]c(=S)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C1CC1Aglycone:
O=S(=O)(Nc1[nH]c(=S)nc2c1N=C[N]2)C1CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 403.44 | Num_heavy_atoms: | 26 |
| TPSA: | 162.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD36574
Formula: C8H8O2N5S2
Smiles:
O=S(=O)(Nc1[nH]c(=S)nc2c1N=C[N]2)C1CC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 270.32 | Num_heavy_atoms: | 17 |
| TPSA: | 101.31 | NumAromaticRings: | 1 |
