Glycoside
GD081190
Name:
NoneFormula:
C15H22O6N3BrSmiles:
OC[C@H]1O[C@H](O)[C@H](Nc2cc(Br)cnc2N2CCOCC2)[C@@H](O)[C@@H]1OAglycone:
Nc1cc(Br)cnc1N1CCOCC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 420.26 | Num_heavy_atoms: | 25 |
| TPSA: | 127.54 | NumAromaticRings: | 1 |
Unique Aglycone
AD36610
Formula: C9H12ON3Br
Smiles:
Nc1cc(Br)cnc1N1CCOCC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 1 |
| MolWt: | 258.12 | Num_heavy_atoms: | 14 |
| TPSA: | 51.38 | NumAromaticRings: | 1 |
