Glycoside
GD141322
Name:
NoneFormula:
C20H18O13SSmiles:
O=c1cc(-c2ccc(O)cc2)oc2c(O)c(OC3OCC(O)C(O)C3OS(=O)(=O)O)cc(O)c12Aglycone:
O=S(=O)(O)O.O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)cc(O)c12Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.25 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 498.42 | Num_heavy_atoms: | 34 |
| TPSA: | 213.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD06991
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
