Glycoside
GD021495
Name:
NoneFormula:
C15H18O5N3BrSmiles:
CO[C@@H]1O[C@H](Cn2cc(-c3ccc(Br)cc3)nn2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Cn1cc(-c2ccc(Br)cc2)nn1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 400.23 | Num_heavy_atoms: | 24 |
| TPSA: | 109.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD14695
Formula: C9H8N3Br
Smiles:
Cn1cc(-c2ccc(Br)cc2)nn1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 238.09 | Num_heavy_atoms: | 13 |
| TPSA: | 30.71 | NumAromaticRings: | 2 |
