Glycoside
GD152671
Name:
[4,5-dihydroxy-6-(hydroxymethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]oxidanesulfonic acidFormula:
C12H22O14SSmiles:
O=S(=O)(O)OC1C(OC2OC(CO)C(O)C(O)C2O)OC(CO)C(O)C1OAglycone:
O=S(=O)(O)OSugarmoiety:
OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -5.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 422.36 | Num_heavy_atoms: | 27 |
| TPSA: | 232.9 | 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 |
