Glycoside
GD089467
Name:
NoneFormula:
C16H22O4N6BrSmiles:
OC[C@H]1O[C@@H](n2c(Br)nc3c(NC=C4CC[NH2+]CC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
BrC1=Nc2c(ncnc2NC=C2CC[NH2+]CC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 442.29 | Num_heavy_atoms: | 27 |
| TPSA: | 142.16 | NumAromaticRings: | 2 |
Unique Aglycone
AD39028
Formula: C11H13N6Br
Smiles:
BrC1=Nc2c(ncnc2NC=C2CC[NH2+]CC2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 2 |
| MolWt: | 309.17 | Num_heavy_atoms: | 18 |
| TPSA: | 80.88 | NumAromaticRings: | 1 |
