Glycoside
GD157530
Name:
[6-({3,4-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl}oxy)-4-[(8-{[3,4-dihydroxy-6-(hydroxymethyl)-5-(sulfooxy)oxan-2-yl]oxy}-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl)oxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acidFormula:
C24H38O25S2Smiles:
O=S(=O)(O)OC1C(CO)OC(OC2C3COC2C(O)C(OC2C(O)C(OC4C5COC4C(O)C(O)O5)OC(CO)C2OS(=O)(=O)O)O3)C(O)C1OAglycone:
O=S(=O)(O)O.O=S(=O)(O)O.OC1OC2COC(C1O)C2O.OC1OC2COC(C1O)C2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -8.0 | Num_rotatable_bonds: | 12 |
| MolWt: | 790.68 | Num_heavy_atoms: | 51 |
| TPSA: | 372.11 | 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 |
