Glycoside
GD029905
Name:
NoneFormula:
C18H23O7N7SSmiles:
NS(=O)(=O)NC[C@@H]1O[C@H](n2cnc3c(NC[C@H](O)c4cccc(O)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
CNS(N)(=O)=O.Oc1cccc(C(O)CNc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.39 |
| AlogP: | -1.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 481.49 | Num_heavy_atoms: | 33 |
| TPSA: | 217.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD00669
Formula: CH6O2N2S
Smiles:
CNS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.14 | Num_heavy_atoms: | 6 |
| TPSA: | 72.19 | NumAromaticRings: | 0 |
AD19399
Formula: C13H12O2N5
Smiles:
Oc1cccc(C(O)CNc2ncnc3c2N=C[N]3)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 270.27 | Num_heavy_atoms: | 20 |
| TPSA: | 104.73 | NumAromaticRings: | 2 |
