Glycoside
GD088699
Name:
NoneFormula:
C15H19O6N4BrSmiles:
OC[C@H]1O[C@@](CO)(OCCn2cc(-c3ccc(Br)nc3)nn2)[C@@H](O)[C@@H]1OAglycone:
OCCn1cc(-c2ccc(Br)nc2)nn1Sugarmoiety:
OCC1OC(O)(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 431.24 | Num_heavy_atoms: | 26 |
| TPSA: | 142.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD38808
Formula: C9H9ON4Br
Smiles:
OCCn1cc(-c2ccc(Br)nc2)nn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 269.1 | Num_heavy_atoms: | 15 |
| TPSA: | 63.83 | NumAromaticRings: | 2 |
