Glycoside
GD094702
Name:
NoneFormula:
C14H18O9N3SBrSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1cc2ccc(Br)cn2n1Aglycone:
COS(O)(O)O.NC(=O)c1cc2ccc(Br)cn2n1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.43 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 484.28 | Num_heavy_atoms: | 28 |
| TPSA: | 186.24 | NumAromaticRings: | 2 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD36486
Formula: C8H6ON3Br
Smiles:
NC(=O)c1cc2ccc(Br)cn2n1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 240.06 | Num_heavy_atoms: | 13 |
| TPSA: | 60.39 | NumAromaticRings: | 2 |
