Glycoside
GD079102
Name:
NoneFormula:
C13H13O7N7SSmiles:
O=c1[nH]nc(Sc2nc3c(=O)[nH]cnc3n2[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1Aglycone:
O=c1[nH]nc(SC2=Nc3c(nc[nH]c3=O)[N]2)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -3.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 411.36 | Num_heavy_atoms: | 28 |
| TPSA: | 212.1 | NumAromaticRings: | 3 |
Unique Aglycone
AD36269
Formula: C8H4O3N7S
Smiles:
O=c1[nH]nc(SC2=Nc3c(nc[nH]c3=O)[N]2)c(=O)[nH]1| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 278.23 | Num_heavy_atoms: | 19 |
| TPSA: | 150.82 | NumAromaticRings: | 2 |
