Glycoside
GD020549
Name:
NoneFormula:
C20H22O5N7BrSmiles:
NNc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
NNc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 520.34 | Num_heavy_atoms: | 33 |
| TPSA: | 176.59 | NumAromaticRings: | 4 |
Unique Aglycone
AD14179
Formula: C15H13ON7Br
Smiles:
NNc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2c1N=C[N]2| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 387.22 | Num_heavy_atoms: | 24 |
| TPSA: | 115.31 | NumAromaticRings: | 3 |
