Glycoside
GD007743
Name:
NoneFormula:
C19H31O6N8SSmiles:
C[S+](CC[C@H](NC(=O)CNCCN)C(=O)O)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
C[S+](C)CCC(NC(=O)CNCCN)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.63 |
| AlogP: | -3.22 | Num_rotatable_bonds: | 12 |
| MolWt: | 499.57 | Num_heavy_atoms: | 34 |
| TPSA: | 223.76 | 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 |
AD06274
Formula: C10H22O3N3S
Smiles:
C[S+](C)CCC(NC(=O)CNCCN)C(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 9 |
| MolWt: | 264.37 | Num_heavy_atoms: | 17 |
| TPSA: | 104.45 | NumAromaticRings: | 0 |
