Glycoside
GD014868
Name:
NoneFormula:
C18H28O6N7SSmiles:
C[S+](CC[C@H](NC(=O)CCN)C(=O)O)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
C[S+](C)CCC(NC(=O)CCN)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.61 |
| AlogP: | -2.42 | Num_rotatable_bonds: | 10 |
| MolWt: | 470.53 | Num_heavy_atoms: | 32 |
| TPSA: | 211.73 | 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 |
AD10893
Formula: C9H19O3N2S
Smiles:
C[S+](C)CCC(NC(=O)CCN)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 7 |
| MolWt: | 235.33 | Num_heavy_atoms: | 15 |
| TPSA: | 92.42 | NumAromaticRings: | 0 |
