Glycoside
GD137884
Name:
2-({4,5-dihydroxy-2-[(3-hydroxy-6-methylheptyl)oxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C20H38O12Smiles:
CC(C)CCC(O)CCOC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)CCC(O)CCOSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -3.19 | Num_rotatable_bonds: | 11 |
| MolWt: | 470.51 | Num_heavy_atoms: | 32 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD53332
Formula: C8H18O2
Smiles:
CC(C)CCC(O)CCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 146.23 | Num_heavy_atoms: | 10 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
