Glycoside
GD018238
Name:
NoneFormula:
C41H32O56S10Smiles:
O=C(OC[C@@H]1O[C@H](OC(=O)c2cc(OS(=O)(=O)O)c(O)c(OS(=O)(=O)O)c2)[C@H](OC(=O)c2cc(OS(=O)(=O)O)c(O)c(OS(=O)(=O)O)c2)[C@H](OC(=O)c2cc(OS(=O)(=O)O)c(O)c(OS(=O)(=O)O)c2)[C@H]1OC(=O)c1cc(OS(=O)(=O)O)c(O)c(OS(=O)(=O)O)c1)c1cc(OS(=O)(=O)O)c(O)c(OS(=O)(=O)O)c1Aglycone:
COC(=O)c1cc(OS(=O)(=O)O)c(O)c(OS(=O)(=O)O)c1.O=C(O)c1cc(OS(=O)(=O)O)c(O)c(OS(=O)(=O)O)c1.O=C(O)c1cc(OS(=O)(=O)O)c(O)c(OS(=O)(=O)O)c1.O=C(O)c1cc(OS(=O)(=O)O)c(O)c(OS(=O)(=O)O)c1.O=C(O)c1cc(OS(=O)(=O)O)c(O)c(OS(=O)(=O)O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 56 | RingCount: | 6 |
| HBD: | 15 | FractionCSP3: | 0.15 |
| AlogP: | -3.55 | Num_rotatable_bonds: | 31 |
| MolWt: | 1741.32 | Num_heavy_atoms: | 107 |
| TPSA: | 877.88 | NumAromaticRings: | 5 |
Unique Aglycone
AD12902
Formula: C8H8O11S2
Smiles:
COC(=O)c1cc(OS(=O)(=O)O)c(O)c(OS(=O)(=O)O)c1| HBA: | 11 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 344.28 | Num_heavy_atoms: | 21 |
| TPSA: | 173.73 | NumAromaticRings: | 1 |
AD12903
Formula: C7H6O11S2
Smiles:
O=C(O)c1cc(OS(=O)(=O)O)c(O)c(OS(=O)(=O)O)c1| HBA: | 11 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 330.25 | Num_heavy_atoms: | 20 |
| TPSA: | 184.73 | NumAromaticRings: | 1 |
