Glycoside
GD026801
Name:
NoneFormula:
C14H20O8N6SSmiles:
CCCC(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@H]1OAglycone:
CCCC(=O)NS(=O)(=O)OC.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -2.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 432.42 | Num_heavy_atoms: | 29 |
| TPSA: | 211.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD17649
Formula: C5H11O4NS
Smiles:
CCCC(=O)NS(=O)(=O)OC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 181.21 | Num_heavy_atoms: | 11 |
| TPSA: | 72.47 | NumAromaticRings: | 0 |
