Glycoside
GD082103
Name:
NoneFormula:
C15H18O6N3BrSmiles:
O=C(Cc1cn2cc(Br)ccc2n1)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
NC(=O)Cc1cn2cc(Br)ccc2n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 416.23 | Num_heavy_atoms: | 25 |
| TPSA: | 136.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD36866
Formula: C9H8ON3Br
Smiles:
NC(=O)Cc1cn2cc(Br)ccc2n1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 254.09 | Num_heavy_atoms: | 14 |
| TPSA: | 60.39 | NumAromaticRings: | 2 |
