Glycoside
GD115235
Name:
3-[4-hydroxy-3-(hydroxymethyl)but-1-en-1-yl]-2,4-dimethyl-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-oneFormula:
C20H32O9Smiles:
CC1=C(C=CC(CO)CO)C(C)(COC2OC(CO)C(O)C(O)C2O)CCC1=OAglycone:
CC1=C(C=CC(CO)CO)C(C)(CO)CCC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.75 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 8 |
| MolWt: | 416.47 | Num_heavy_atoms: | 29 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD45545
Formula: C14H22O4
Smiles:
CC1=C(C=CC(CO)CO)C(C)(CO)CCC1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 254.33 | Num_heavy_atoms: | 18 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
