Glycoside
GD021908
Name:
NoneFormula:
C22H25O4N6ClSSmiles:
OC[C@@H]1O[C@H](n2cnc3c(NN4CCCC(Sc5ccccc5)C4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
Clc1nc2c(c(NN3CCCC(Sc4ccccc4)C3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 492.99 | Num_heavy_atoms: | 33 |
| TPSA: | 128.79 | NumAromaticRings: | 3 |
Unique Aglycone
AD14907
Formula: C17H16N6ClS
Smiles:
Clc1nc2c(c(NN3CCCC(Sc4ccccc4)C3)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 |
