Glycoside
GD022575
Name:
NoneFormula:
C22H33O4N9SSmiles:
CC(C)(C)c1cc(CNC(=O)[C@H](N)CCSC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)n[nH]1Aglycone:
CSCCC(N)C(=O)NCc1cc(C(C)(C)C)[nH]n1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 9 |
| MolWt: | 519.63 | Num_heavy_atoms: | 36 |
| TPSA: | 203.11 | 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 |
AD15286
Formula: C13H24ON4S
Smiles:
CSCCC(N)C(=O)NCc1cc(C(C)(C)C)[nH]n1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 284.43 | Num_heavy_atoms: | 19 |
| TPSA: | 83.8 | NumAromaticRings: | 1 |
