Glycoside
GD015469
Name:
NoneFormula:
C15H20O4N3SBrSmiles:
CC[C@@H]1O[C@H](NC(=S)NN=Cc2cccc(Br)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
NC(=S)NN=Cc1cccc(Br)c1Sugarmoiety:
CCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 418.31 | Num_heavy_atoms: | 24 |
| TPSA: | 106.34 | NumAromaticRings: | 1 |
Unique Aglycone
AD11235
Formula: C8H8N3SBr
Smiles:
NC(=S)NN=Cc1cccc(Br)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 2 |
| MolWt: | 258.14 | Num_heavy_atoms: | 13 |
| TPSA: | 50.41 | NumAromaticRings: | 1 |
