Glycoside
GD141707
Name:
(3,4,5-trihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl 8-methylnonanoateFormula:
C22H40O12Smiles:
CC(C)CCCCCCC(=O)OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
COC(=O)CCCCCCC(C)CSugarmoiety:
OCC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | -1.85 | Num_rotatable_bonds: | 12 |
| MolWt: | 496.55 | Num_heavy_atoms: | 34 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD57073
Formula: C11H22O2
Smiles:
COC(=O)CCCCCCC(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.91 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 186.29 | Num_heavy_atoms: | 13 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
