Glycoside
GD014963
Name:
NoneFormula:
C16H18O6N2SSmiles:
COc1ccc(SC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)cc1Aglycone:
COc1ccc(SC)cc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 366.4 | Num_heavy_atoms: | 25 |
| 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 |
AD10949
Formula: C8H10OS
Smiles:
COc1ccc(SC)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.23 | Num_heavy_atoms: | 10 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
