Glycoside
GD122035
Name:
6-({2-[(2-{[2-({2-[(acetyloxy)methyl]-4,5,6-trihydroxyoxan-3-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl)oxy]-4,5-dihydroxy-6-methyloxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C32H52O26Smiles:
CC(=O)OCC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(OC2OC(C)C(O)C(OC3OC(C)C(O)C(O)C3OC3OC(C(=O)O)C(O)C(O)C3O)C2O)C1OAglycone:
COC(C)=OSugarmoiety:
CC1OC(OC2C(O)C(C)OC(OC3C(O)C(CO)OC(OC4C(O)OC(O)C(O)C4O)C3O)C2O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 5 |
| HBD: | 14 | FractionCSP3: | 0.94 |
| AlogP: | -9.21 | Num_rotatable_bonds: | 12 |
| MolWt: | 852.74 | Num_heavy_atoms: | 58 |
| TPSA: | 409.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
Sugarmoiety
SD05916
CC1OC(OC2C(O)C(C)OC(OC3C(O)C(CO)OC(OC4C(O)OC(O)C(O)C4O)C3O)C2O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C1O