Glycoside
GD011075
Name:
NoneFormula:
C24H27O5N7SSmiles:
NS(=O)(=O)NC[C@@H]1O[C@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCC(c2ccccc2)c2ccccc2)[N]1.CNS(N)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 525.59 | Num_heavy_atoms: | 37 |
| TPSA: | 177.51 | NumAromaticRings: | 4 |
Unique Aglycone
AD00669
Formula: CH6O2N2S
Smiles:
CNS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.14 | Num_heavy_atoms: | 6 |
| TPSA: | 72.19 | NumAromaticRings: | 0 |
AD08489
Formula: C19H16N5
Smiles:
C1=Nc2c(ncnc2NCC(c2ccccc2)c2ccccc2)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 314.37 | Num_heavy_atoms: | 24 |
| TPSA: | 64.27 | NumAromaticRings: | 3 |
