Glycoside
GD095667
Name:
NoneFormula:
C16H26O7N7SSmiles:
CC[C@H](C)[C@H]([NH3+])C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCC(C)C([NH3+])C(=O)NS(=O)(=O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -2.94 | Num_rotatable_bonds: | 8 |
| MolWt: | 460.49 | Num_heavy_atoms: | 31 |
| TPSA: | 219.42 | 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 |
AD40796
Formula: C7H17O4N2S
Smiles:
CCC(C)C([NH3+])C(=O)NS(=O)(=O)OC| HBA: | 6 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 225.29 | Num_heavy_atoms: | 14 |
| TPSA: | 100.11 | NumAromaticRings: | 0 |
