Glycoside
GD035458
Name:
NoneFormula:
C18H21O6N5SSmiles:
NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(CCc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(CCc3ccccc3)ncnc2[N]1.COS(N)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 435.46 | Num_heavy_atoms: | 30 |
| TPSA: | 162.68 | NumAromaticRings: | 3 |
Unique Aglycone
AD00036
Formula: CH5O3NS
Smiles:
COS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.39 | NumAromaticRings: | 0 |
AD22429
Formula: C13H11N4
Smiles:
C1=Nc2c(CCc3ccccc3)ncnc2[N]1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.15 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 223.26 | Num_heavy_atoms: | 17 |
| TPSA: | 52.24 | NumAromaticRings: | 2 |
