Glycoside
GD133624
Name:
8-({4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl}oxy)-7-hydroxy-6-[(4-hydroxy-3-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-2,6-dioxabicyclo[3.2.1]octan-8-yl)oxy]-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxine-2-carboxylic acidFormula:
C27H40O21Smiles:
CC1(C(=O)O)OCC2OC(OC3C4COC3C(O)C(OC3C(O)C(O)OC(CO)C3O)O4)C(O)C(OC3OC4COC(C4O)C3O)C2O1Aglycone:
CC1(C(=O)O)OCC2OC(OC3C4COC3C(O)C(O)O4)C(O)C(OC3OC4COC(C4O)C3O)C2O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.96 |
| AlogP: | -6.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 700.6 | Num_heavy_atoms: | 48 |
| TPSA: | 300.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD54073
Formula: C21H30O16
Smiles:
CC1(C(=O)O)OCC2OC(OC3C4COC3C(O)C(O)O4)C(O)C(OC3OC4COC(C4O)C3O)C2O1| HBA: | 16 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | -4.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 538.46 | Num_heavy_atoms: | 37 |
| TPSA: | 221.52 | NumAromaticRings: | 0 |
