Glycoside
GD008139
Name:
NoneFormula:
C20H22O8N6SSmiles:
O=C(NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(NC4CC4)ncnc32)[C@H](O)[C@H]1O)c1ccccc1OAglycone:
C1=Nc2c(ncnc2NC2CC2)[N]1.COS(=O)(=O)NC(=O)c1ccccc1OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 8 |
| MolWt: | 506.5 | Num_heavy_atoms: | 35 |
| TPSA: | 198.02 | NumAromaticRings: | 3 |
Unique Aglycone
AD00564
Formula: C8H9O5NS
Smiles:
COS(=O)(=O)NC(=O)c1ccccc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 231.23 | Num_heavy_atoms: | 15 |
| TPSA: | 92.7 | NumAromaticRings: | 1 |
AD01818
Formula: C8H8N5
Smiles:
C1=Nc2c(ncnc2NC2CC2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 174.19 | Num_heavy_atoms: | 13 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
