Glycoside
GD000022
Name:
NoneFormula:
C15H25O10N3SSmiles:
OC[C@@H]1O[C@H](n2cc(CS[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)[C@H](O)[C@H](O)[C@H]1OAglycone:
SCC1=C[N]N=N1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.87 |
| AlogP: | -4.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 439.44 | Num_heavy_atoms: | 29 |
| TPSA: | 211.01 | NumAromaticRings: | 1 |
Unique Aglycone
AD00030
Formula: C3H4N3S
Smiles:
SCC1=C[N]N=N1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.15 | Num_heavy_atoms: | 7 |
| TPSA: | 38.82 | NumAromaticRings: | 0 |
