Glycoside
GD100910
Name:
NoneFormula:
C16H19O7N2SBrSmiles:
CCOC(=O)c1sc2c(Br)nccc2c1N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
CCOC(=O)c1sc2c(Br)nccc2c1NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 463.31 | Num_heavy_atoms: | 27 |
| TPSA: | 141.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD42639
Formula: C10H9O2N2SBr
Smiles:
CCOC(=O)c1sc2c(Br)nccc2c1N| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 301.17 | Num_heavy_atoms: | 16 |
| TPSA: | 65.21 | NumAromaticRings: | 2 |
