Glycoside
GD006937
Name:
NoneFormula:
C23H24O3N6Cl2SSmiles:
O[C@H]1[C@H](O)[C@H](CCl)O[C@@H]1n1cnc2c(NN3CCC(Sc4ccccc4)CC3)nc(Cl)nc21Aglycone:
Clc1nc2c(c(NN3CCC(Sc4ccccc4)CC3)n1)N=C[N]2Sugarmoiety:
OC1OC(CCl)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 511.44 | Num_heavy_atoms: | 33 |
| TPSA: | 108.56 | NumAromaticRings: | 3 |
Unique Aglycone
AD05686
Formula: C17H16N6ClS
Smiles:
Clc1nc2c(c(NN3CCC(Sc4ccccc4)CC3)n1)N=C[N]2| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 3.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 359.87 | Num_heavy_atoms: | 24 |
| TPSA: | 67.51 | NumAromaticRings: | 2 |
