Glycoside
GD028291
Name:
NoneFormula:
C11H12O7N2S2Smiles:
O=C1CC([C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)[S+]([O-])S1Aglycone:
O=C1CC[S+]([O-])S1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | -2.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 348.36 | Num_heavy_atoms: | 22 |
| TPSA: | 144.68 | 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 |
AD18505
Formula: C3H4O2S2
Smiles:
O=C1CC[S+]([O-])S1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 136.2 | Num_heavy_atoms: | 7 |
| TPSA: | 40.13 | NumAromaticRings: | 0 |
