Glycoside
GD146875
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2,6-dimethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oct-2-enoateFormula:
C22H38O13Smiles:
CC(=CCCC(C)CCOC1OC(CO)C(O)C(O)C1O)C(=O)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(=CCCC(C)CCO)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.86 |
| AlogP: | -3.1 | Num_rotatable_bonds: | 11 |
| MolWt: | 510.53 | Num_heavy_atoms: | 35 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD47050
Formula: C10H18O3
Smiles:
CC(=CCCC(C)CCO)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 186.25 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
