Glycoside
GD138161
Name:
[4-({4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl}oxy)-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acidFormula:
C12H20O13SSmiles:
O=S(=O)(O)OC1C(CO)OC(O)C(O)C1OC1OC2COC(C2O)C1OAglycone:
O=S(=O)(O)O.OC1OC2COC(C1O)C2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -4.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 404.35 | Num_heavy_atoms: | 26 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
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 |
AD02564
Formula: C6H10O5
Smiles:
OC1OC2COC(C1O)C2O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -2.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.14 | Num_heavy_atoms: | 11 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
