Glycoside
GD028357
Name:
NoneFormula:
C22H37O8N9SSmiles:
CC(C)C[C@H](NC(=O)[C@H](N)CCCCN)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)CCCCN.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.68 |
| AlogP: | -2.61 | Num_rotatable_bonds: | 14 |
| MolWt: | 587.66 | Num_heavy_atoms: | 40 |
| TPSA: | 272.92 | 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 |
AD18541
Formula: C13H28O5N4S
Smiles:
COS(=O)(=O)NC(=O)C(CC(C)C)NC(=O)C(N)CCCCN| HBA: | 9 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 11 |
| MolWt: | 352.46 | Num_heavy_atoms: | 23 |
| TPSA: | 153.61 | NumAromaticRings: | 0 |
