Glycoside
GD006795
Name:
NoneFormula:
C18H18O3N5ClSmiles:
O[C@H]1[C@H](O)[C@H](CCl)O[C@@H]1n1cnc2c(NCc3ccccc3)ncnc21Aglycone:
C1=Nc2c(ncnc2NCc2ccccc2)[N]1Sugarmoiety:
OC1OC(CCl)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 375.82 | Num_heavy_atoms: | 26 |
| TPSA: | 105.32 | NumAromaticRings: | 3 |
Unique Aglycone
AD01429
Formula: C12H10N5
Smiles:
C1=Nc2c(ncnc2NCc2ccccc2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 224.25 | Num_heavy_atoms: | 17 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
