Glycoside
GD099983
Name:
NoneFormula:
C20H20O6N3BrSmiles:
O=c1c2cc(Br)ccc2nc(-c2ccccc2)n1NC[C@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1OAglycone:
CNn1c(-c2ccccc2)nc2ccc(Br)cc2c1=OSugarmoiety:
OC1COC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 478.3 | Num_heavy_atoms: | 30 |
| TPSA: | 137.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD05191
Formula: C15H12ON3Br
Smiles:
CNn1c(-c2ccccc2)nc2ccc(Br)cc2c1=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 330.19 | Num_heavy_atoms: | 20 |
| TPSA: | 46.92 | NumAromaticRings: | 3 |
