Glycoside
GD032716
Name:
NoneFormula:
C16H21O5N9SSmiles:
Cc1cnc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CNS(N)(=O)=O)[C@H](O)[C@H]2O)cn1Aglycone:
CNS(N)(=O)=O.Cc1cnc(CNc2ncnc3c2N=C[N]3)cn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -2.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 451.47 | Num_heavy_atoms: | 31 |
| TPSA: | 203.29 | 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 |
AD20305
Formula: C11H10N7
Smiles:
Cc1cnc(CNc2ncnc3c2N=C[N]3)cn1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 240.25 | Num_heavy_atoms: | 18 |
| TPSA: | 90.05 | NumAromaticRings: | 2 |
