Glycoside
GD025503
Name:
NoneFormula:
C21H32O8N8SSmiles:
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)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)C1CCCN1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -2.31 | Num_rotatable_bonds: | 10 |
| MolWt: | 556.6 | Num_heavy_atoms: | 38 |
| TPSA: | 232.91 | 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 |
AD16903
Formula: C12H23O5N3S
Smiles:
COS(=O)(=O)NC(=O)C(CC(C)C)NC(=O)C1CCCN1| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 321.4 | Num_heavy_atoms: | 21 |
| TPSA: | 113.6 | NumAromaticRings: | 0 |
