Glycoside
GD123570
Name:
(4-hydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-4-methoxy-3-(sulfooxy)oxan-2-yl]oxy}-2-methyl-6-[(sulfooxy)methyl]oxan-3-yl)oxidanesulfonic acidFormula:
C14H26O19S3Smiles:
COC1C(O)C(CO)OC(OC2C(COS(=O)(=O)O)OC(C)C(OS(=O)(=O)O)C2O)C1OS(=O)(=O)OAglycone:
COS(=O)(=O)O.O=S(=O)(O)O.O=S(=O)(O)OSugarmoiety:
COC1C(O)C(CO)OC(OC2C(O)OC(C)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -4.19 | Num_rotatable_bonds: | 11 |
| MolWt: | 594.54 | Num_heavy_atoms: | 36 |
| TPSA: | 288.41 | 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 |
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 |
