Glycoside
GD034380
Name:
NoneFormula:
C21H34O11N6SSmiles:
NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(NCC4COCCOCCOCCOCCO4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCC2COCCOCCOCCOCCO2)[N]1.COS(N)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | -2.46 | Num_rotatable_bonds: | 7 |
| MolWt: | 578.6 | Num_heavy_atoms: | 39 |
| TPSA: | 220.86 | 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 |
AD21865
Formula: C16H24O5N5
Smiles:
C1=Nc2c(ncnc2NCC2COCCOCCOCCOCCO2)[N]1| HBA: | 10 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 366.4 | Num_heavy_atoms: | 26 |
| TPSA: | 110.42 | NumAromaticRings: | 1 |
