Glycoside
GD014739
Name:
NoneFormula:
C15H21O5N5SSmiles:
Nc1nccc2c1ncn2C1O[C@H](CSCCC(N)C(=O)O)[C@H](O)[C@H]1OAglycone:
CSCCC(N)C(=O)O.Nc1nccc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 7 |
| MolWt: | 383.43 | Num_heavy_atoms: | 26 |
| TPSA: | 169.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD01546
Formula: C5H11O2NS
Smiles:
CSCCC(N)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 149.22 | Num_heavy_atoms: | 9 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
AD01566
Formula: C6H5N4
Smiles:
Nc1nccc2c1N=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 0 |
| MolWt: | 133.13 | Num_heavy_atoms: | 10 |
| TPSA: | 65.37 | NumAromaticRings: | 1 |
