Glycoside
GD066441
Name:
NoneFormula:
C8H10O6N3SBrSmiles:
O=C(Nc1nnc(Br)s1)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
Nc1nnc(Br)s1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 356.15 | Num_heavy_atoms: | 19 |
| TPSA: | 152.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD31815
Formula: C2H2N3SBr
Smiles:
Nc1nnc(Br)s1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 0 |
| MolWt: | 180.03 | Num_heavy_atoms: | 7 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
