Glycoside
GD035103
Name:
(2-hydroxy-5-{[5-hydroxy-3,4-bis(sulfooxy)oxan-2-yl]oxy}-3-(sulfooxy)oxan-4-yl)oxidanesulfonic acidFormula:
C10H18O21S4Smiles:
O=S(=O)(O)O[C@H]1[C@H](O[C@H]2OC[C@@H](O)[C@@H](OS(=O)(=O)O)[C@@H]2OS(=O)(=O)O)CO[C@H](O)[C@@H]1OS(=O)(=O)OAglycone:
O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)OSugarmoiety:
OC1COC(OC2COC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -4.81 | Num_rotatable_bonds: | 10 |
| MolWt: | 602.5 | Num_heavy_atoms: | 35 |
| TPSA: | 322.55 | 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 |
