Glycoside
GD017167
Name:
NoneFormula:
C21H19O6N3ClBrSmiles:
O=c1c2cc(Br)ccc2nc(-c2ccccc2Cl)n1NCC1(O)OCC(O)C(O)C1OAglycone:
CNn1c(-c2ccccc2Cl)nc2ccc(Br)cc2c1=OSugarmoiety:
OC1COC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 512.74 | Num_heavy_atoms: | 31 |
| TPSA: | 137.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD12285
Formula: C16H11ON3ClBr
Smiles:
CNn1c(-c2ccccc2Cl)nc2ccc(Br)cc2c1=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 2 |
| MolWt: | 364.63 | Num_heavy_atoms: | 21 |
| TPSA: | 46.92 | NumAromaticRings: | 3 |
