Glycoside
GD145671
Name:
{[3,4,5-trihydroxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methoxy}sulfonic acidFormula:
C15H22O12SSmiles:
COc1cc(OC2OC(COS(=O)(=O)O)C(O)C(O)C2O)cc(OC)c1OCAglycone:
COS(=O)(=O)O.COc1cc(O)cc(OC)c1OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 8 |
| MolWt: | 426.4 | Num_heavy_atoms: | 28 |
| TPSA: | 170.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD00053
Formula: CH4O4S
Smiles:
COS(=O)(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.11 | Num_heavy_atoms: | 6 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD07763
Formula: C9H12O4
Smiles:
COc1cc(O)cc(OC)c1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 47.92 | NumAromaticRings: | 1 |
