Glycoside
GD062742
Name:
NoneFormula:
C13H22O7N2SSmiles:
CCS[C@H]([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cc(C)c(=O)[nH]c1=OAglycone:
CCSCn1cc(C)c(=O)[nH]c1=OSugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 350.39 | Num_heavy_atoms: | 23 |
| TPSA: | 156.01 | NumAromaticRings: | 1 |
Unique Aglycone
AD30358
Formula: C8H12O2N2S
Smiles:
CCSCn1cc(C)c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 200.26 | Num_heavy_atoms: | 13 |
| TPSA: | 54.86 | NumAromaticRings: | 1 |
