Glycoside
GD019719
Name:
NoneFormula:
C16H16O6N2S2Smiles:
O=c1ccn([C@@H]2O[C@H](CO)C(OC3Sc4ccccc4S3)[C@H]2O)c(=O)[nH]1Aglycone:
O=c1cc[nH]c(=O)[nH]1.OC1Sc2ccccc2S1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 396.45 | Num_heavy_atoms: | 26 |
| TPSA: | 113.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
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 |
