Glycoside
GD150607
Name:
2-{[2-({3,7-dimethyl-8-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]octa-2,6-dien-1-yl}oxy)-3,5-dihydroxy-6-methyloxan-4-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C28H48O14Smiles:
CC(=CCOC1OC(C)C(O)C(OC2OC(C)C(O)C(O)C2O)C1O)CCC=C(C)COC1OC(C)C(O)C(O)C1OAglycone:
CC(=CCCC(C)=CCO)COSugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(O)C(C)OC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.86 |
| AlogP: | -1.8 | Num_rotatable_bonds: | 11 |
| MolWt: | 608.68 | Num_heavy_atoms: | 42 |
| TPSA: | 217.22 | 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 |
