Glycoside
GD029860
Name:
NoneFormula:
C19H29O11NSSmiles:
CO[C@H]1O[C@@H](CO)[C@@H](Sc2ncccc2O[C@H]2[C@@H](CO)O[C@@H](OC)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
Oc1cccnc1SSugarmoiety:
COC1OC(CO)C(O)C(O)C1O.COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.74 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 8 |
| MolWt: | 479.5 | Num_heavy_atoms: | 32 |
| TPSA: | 180.42 | NumAromaticRings: | 1 |
Unique Aglycone
AD10095
Formula: C5H5ONS
Smiles:
Oc1cccnc1S| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 127.17 | Num_heavy_atoms: | 8 |
| TPSA: | 33.12 | NumAromaticRings: | 1 |
