Glycoside
GD013520
Name:
NoneFormula:
C20H20O5N3BrSmiles:
Cc1nc2ccc(Br)cc2c(=O)n1-c1ccc(NC2OCC(O)C(O)C2O)cc1Aglycone:
Cc1nc2ccc(Br)cc2c(=O)n1-c1ccc(N)cc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 462.3 | Num_heavy_atoms: | 29 |
| TPSA: | 116.84 | NumAromaticRings: | 3 |
Unique Aglycone
AD07076
Formula: C15H12ON3Br
Smiles:
Cc1nc2ccc(Br)cc2c(=O)n1-c1ccc(N)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 330.19 | Num_heavy_atoms: | 20 |
| TPSA: | 60.91 | NumAromaticRings: | 3 |
