Glycoside
GD025147
Name:
NoneFormula:
C18H22O3N5ClSmiles:
O[C@H]1[C@H](O)[C@H](CCl)O[C@@H]1n1cnc2c(NC3C[C@@H]4CCC3C4)ncnc21Aglycone:
C1=Nc2c(ncnc2NC2CC3CCC2C3)[N]1Sugarmoiety:
OC1OC(CCl)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 379.85 | Num_heavy_atoms: | 26 |
| TPSA: | 105.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD00439
Formula: C12H14N5
Smiles:
C1=Nc2c(ncnc2NC2CC3CCC2C3)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.28 | Num_heavy_atoms: | 17 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
