Glycoside
GD000330
Name:
NoneFormula:
C11H12O6N2S2Smiles:
O=C1CC([C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)SS1Aglycone:
O=C1CCSS1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.36 | Num_heavy_atoms: | 21 |
| TPSA: | 121.62 | NumAromaticRings: | 1 |
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 |
AD00374
Formula: C3H4OS2
Smiles:
O=C1CCSS1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 0 |
| MolWt: | 120.2 | Num_heavy_atoms: | 6 |
| TPSA: | 17.07 | NumAromaticRings: | 0 |
