Glycoside
GD137177
Name:
(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 4-(2-hydroxypropan-2-yl)cyclohex-1-ene-1-carboxylateFormula:
C22H36O13Smiles:
CC(C)(O)C1CC=C(C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)CC1Aglycone:
COC(=O)C1=CCC(C(C)(C)O)CC1Sugarmoiety:
OCC1OC(CO)(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.86 |
| AlogP: | -3.35 | Num_rotatable_bonds: | 8 |
| MolWt: | 508.52 | Num_heavy_atoms: | 35 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD04696
Formula: C11H18O3
Smiles:
COC(=O)C1=CCC(C(C)(C)O)CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 198.26 | Num_heavy_atoms: | 14 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
