Glycoside
GD101205
Name:
NoneFormula:
C18H18O5N5BrSmiles:
OC[C@H]1O[C@@H](n2c(Br)nc3c(Nc4ccc5c(c4)CCO5)ncnc32)[C@H](O)[C@@H]1OAglycone:
BrC1=Nc2c(ncnc2Nc2ccc3c(c2)CCO3)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 464.28 | Num_heavy_atoms: | 29 |
| TPSA: | 134.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD42791
Formula: C13H9ON5Br
Smiles:
BrC1=Nc2c(ncnc2Nc2ccc3c(c2)CCO3)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 2 |
| MolWt: | 331.15 | Num_heavy_atoms: | 20 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
