Glycoside
GD013239
Name:
NoneFormula:
C18H19O7N3S2Smiles:
COC(=O)Nc1ccn([C@@H]2O[C@H](CO)C(O)[C@H]2OC2Sc3ccccc3S2)c(=O)n1Aglycone:
COC(=O)Nc1cc[nH]c(=O)n1.OC1Sc2ccccc2S1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 453.5 | Num_heavy_atoms: | 30 |
| TPSA: | 132.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD00865
Formula: C7H6OS2
Smiles:
OC1Sc2ccccc2S1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 0 |
| MolWt: | 170.26 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD09905
Formula: C6H7O3N3
Smiles:
COC(=O)Nc1cc[nH]c(=O)n1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 169.14 | Num_heavy_atoms: | 12 |
| TPSA: | 84.08 | NumAromaticRings: | 1 |
