Glycoside
GD031324
Name:
NoneFormula:
C19H18O8N6SSmiles:
NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(CN4C(=O)c5ccccc5C4=O)ncnc32)[C@H](O)[C@H]1OAglycone:
COS(N)(=O)=O.O=C1c2ccccc2C(=O)N1Cc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 490.45 | Num_heavy_atoms: | 34 |
| TPSA: | 200.06 | NumAromaticRings: | 3 |
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 |
AD20196
Formula: C14H8O2N5
Smiles:
O=C1c2ccccc2C(=O)N1Cc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 278.25 | Num_heavy_atoms: | 21 |
| TPSA: | 89.62 | NumAromaticRings: | 2 |
