Glycoside
GD002285
Name:
NoneFormula:
C23H31O4N7SSmiles:
CC(C)c1ccc(NC(=O)NCCCSC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)cc1Aglycone:
CSCCCNC(=O)Nc1ccc(C(C)C)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 9 |
| MolWt: | 501.61 | Num_heavy_atoms: | 35 |
| TPSA: | 160.44 | NumAromaticRings: | 3 |
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 |
AD02196
Formula: C14H22ON2S
Smiles:
CSCCCNC(=O)Nc1ccc(C(C)C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 266.41 | Num_heavy_atoms: | 18 |
| TPSA: | 41.13 | NumAromaticRings: | 1 |
