Glycoside
GD129299
Name:
5,5-dimethyl-4-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl)-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-oneFormula:
C25H40O13Smiles:
CC(C=CC1C(COC2OC(CO)C(O)C(O)C2O)=CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(O)C=CC1C(CO)=CC(=O)CC1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.8 |
| AlogP: | -2.89 | Num_rotatable_bonds: | 9 |
| MolWt: | 548.58 | Num_heavy_atoms: | 38 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD20729
Formula: C13H20O3
Smiles:
CC(O)C=CC1C(CO)=CC(=O)CC1(C)C| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 224.3 | Num_heavy_atoms: | 16 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
