Glycoside
GD027236
Name:
NoneFormula:
C21H32O10N8SSmiles:
CC(C)C[C@H](NC(=O)[C@H](N)CCC(=O)O)C(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)C(CC(C)C)NC(=O)C(N)CCC(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 13 |
| MolWt: | 588.6 | Num_heavy_atoms: | 40 |
| TPSA: | 284.2 | 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 |
AD17919
Formula: C12H23O7N3S
Smiles:
COS(=O)(=O)NC(=O)C(CC(C)C)NC(=O)C(N)CCC(=O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 10 |
| MolWt: | 353.4 | Num_heavy_atoms: | 23 |
| TPSA: | 164.89 | NumAromaticRings: | 0 |
