Glycoside
GD001739
Name:
NoneFormula:
C28H30O6N4S2Smiles:
O=C(NCc1cncs1)[C@@H](OCc1ccccc1)[C@@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)NCc1cncs1Aglycone:
Cc1ccccc1.Cc1ccccc1.NCc1cncs1.NCc1cncs1Sugarmoiety:
O=C(O)C(OO)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 15 |
| MolWt: | 582.7 | Num_heavy_atoms: | 40 |
| TPSA: | 142.9 | NumAromaticRings: | 4 |
Unique Aglycone
AD00274
Formula: C7H8
Smiles:
Cc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 92.14 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
AD01710
Formula: C4H6N2S
Smiles:
NCc1cncs1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.17 | Num_heavy_atoms: | 7 |
| TPSA: | 38.91 | NumAromaticRings: | 1 |
