Glycoside
GD013723
Name:
NoneFormula:
C17H17O6N5Br2Smiles:
OC[C@@H]1O[C@H](n2cnc3cnc(NCc4cc(O)c(O)c(Br)c4Br)nc32)[C@H](O)[C@H]1OAglycone:
Oc1cc(CNc2ncc3c(n2)[N]C=N3)c(Br)c(Br)c1OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 547.16 | Num_heavy_atoms: | 30 |
| TPSA: | 166.01 | NumAromaticRings: | 3 |
Unique Aglycone
AD10194
Formula: C12H8O2N5Br2
Smiles:
Oc1cc(CNc2ncc3c(n2)[N]C=N3)c(Br)c(Br)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 414.04 | Num_heavy_atoms: | 21 |
| TPSA: | 104.73 | NumAromaticRings: | 2 |
