Glycoside
GD020864
Name:
NoneFormula:
C20H24O8N6SSmiles:
CCCNc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@H](O)[C@H]1OAglycone:
CCCNc1ncnc2c1N=C[N]2.COS(=O)(=O)NC(=O)c1ccccc1OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 9 |
| MolWt: | 508.51 | 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 |
AD06140
Formula: C8H10N5
Smiles:
CCCNc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 176.2 | Num_heavy_atoms: | 13 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
