Glycoside
GD004558
Name:
NoneFormula:
C19H28O6N6SSmiles:
NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N4CCC5CCCCC5C4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2N2CCC3CCCCC3C2)[N]1.COS(N)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 468.54 | Num_heavy_atoms: | 32 |
| TPSA: | 165.92 | NumAromaticRings: | 2 |
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 |
AD03963
Formula: C14H18N5
Smiles:
C1=Nc2c(ncnc2N2CCC3CCCCC3C2)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.64 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.33 | Num_heavy_atoms: | 19 |
| TPSA: | 55.48 | NumAromaticRings: | 1 |
