Glycoside
GD017816
Name:
NoneFormula:
C18H25O7N5SSmiles:
COCC(=O)NC(CCSC[C@@H]1OC(n2ccc3c(N)ncnc32)[C@H](O)[C@H]1O)C(=O)OAglycone:
COCC(=O)NC(CCSC)C(=O)O.Nc1ncnc2c1C=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 10 |
| MolWt: | 455.49 | Num_heavy_atoms: | 31 |
| TPSA: | 182.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD00138
Formula: C6H5N4
Smiles:
Nc1ncnc2c1C=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 133.13 | Num_heavy_atoms: | 10 |
| TPSA: | 65.9 | NumAromaticRings: | 1 |
AD12670
Formula: C8H15O4NS
Smiles:
COCC(=O)NC(CCSC)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 221.28 | Num_heavy_atoms: | 14 |
| TPSA: | 75.63 | NumAromaticRings: | 0 |
