Glycoside
GD025584
Name:
NoneFormula:
C17H24O6N8SSmiles:
CC(=O)NC(C(=O)NC[C@@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)C(C)(C)SN=OAglycone:
CNC(=O)C(NC(C)=O)C(C)(C)SN=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 468.5 | Num_heavy_atoms: | 32 |
| TPSA: | 206.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD06965
Formula: C8H15O3N3S
Smiles:
CNC(=O)C(NC(C)=O)C(C)(C)SN=O| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 233.29 | Num_heavy_atoms: | 15 |
| TPSA: | 87.63 | NumAromaticRings: | 0 |
