Glycoside
GD133585
Name:
2-[(2,6-dimethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octa-2,6-dien-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C22H38O12Smiles:
CC(=CCOC1OC(CO)C(O)C(O)C1O)CCC=C(C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(=CCCC(C)=CCO)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.82 |
| AlogP: | -2.71 | Num_rotatable_bonds: | 11 |
| MolWt: | 494.53 | Num_heavy_atoms: | 34 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD51066
Formula: C10H18O2
Smiles:
CC(=CCCC(C)=CCO)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 170.25 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
