Glycoside
GD000624
Name:
NoneFormula:
C12H16O6N2SSmiles:
OC[C@@H]1O[C@H](SC(=NO)c2ccncc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
ON=C(S)c1ccncc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 316.34 | Num_heavy_atoms: | 21 |
| TPSA: | 135.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD00681
Formula: C6H6ON2S
Smiles:
ON=C(S)c1ccncc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.19 | Num_heavy_atoms: | 10 |
| TPSA: | 45.48 | NumAromaticRings: | 1 |
