Glycoside
GD001911
Name:
NoneFormula:
C14H11O4N2Cl2BrSmiles:
O[C@H]1[C@H](O)CO[C@H](n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@@H]1OAglycone:
Clc1cc2c(cc1Cl)N=C(Br)[N]2Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 398.04 | Num_heavy_atoms: | 21 |
| TPSA: | 87.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD01427
Formula: C9H2N2Cl2Br
Smiles:
Clc1cc2c(cc1Cl)N=C(Br)[N]2| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 264.92 | Num_heavy_atoms: | 12 |
| TPSA: | 26.46 | NumAromaticRings: | 1 |
