Glycoside
GD157038
Name:
3-[(8-{[4-({4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl)oxy]-2,4,5,6-tetrahydroxyhexanalFormula:
C24H38O19Smiles:
O=CC(O)C(OC1OC2COC(C1O)C2OC1OC(CO)C(O)C(OC2OC3COC(C3O)C2O)C1O)C(O)C(O)COAglycone:
OC1COC2COC1C2O.OC1OC2COC(C1O)C2OSugarmoiety:
O=CC(O)C(OO)C(O)C(O)CO.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.96 |
| AlogP: | -7.81 | Num_rotatable_bonds: | 12 |
| MolWt: | 630.55 | Num_heavy_atoms: | 43 |
| TPSA: | 293.21 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
AD51652
Formula: C6H10O4
Smiles:
OC1COC2COC1C2O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 0 |
| MolWt: | 146.14 | Num_heavy_atoms: | 10 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
