Glycoside
GD112481
Name:
NoneFormula:
C25H36O7N4SSmiles:
CCCCC(=O)OC[C@@H]1O[C@@H](n2cnc3c(=S)[nH]cnc32)[C@@H](OC(=O)CCCC)[C@H]1OC(=O)CCCCAglycone:
CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)OC.S=c1[nH]cnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)O1Other Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.68 |
| AlogP: | 4.32 | Num_rotatable_bonds: | 14 |
| MolWt: | 536.65 | Num_heavy_atoms: | 37 |
| TPSA: | 134.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD01564
Formula: C5H10O2
Smiles:
CCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD07225
Formula: C6H12O2
Smiles:
CCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD25255
Formula: C5H3N4S
Smiles:
S=c1[nH]cnc2c1N=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 0 |
| MolWt: | 151.17 | Num_heavy_atoms: | 10 |
| TPSA: | 55.14 | NumAromaticRings: | 1 |
