Glycoside
GD009449
Name:
NoneFormula:
C9H10O6N2BrISmiles:
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(I)c1BrAglycone:
O=c1[nH]c(I)c(Br)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 449.0 | Num_heavy_atoms: | 19 |
| TPSA: | 124.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD07406
Formula: C4H2O2N2BrI
Smiles:
O=c1[nH]c(I)c(Br)c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 316.88 | Num_heavy_atoms: | 10 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
