Glycoside
GD126250
Name:
6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-en-1-yl)-6-(prop-2-en-1-yl)-5,6-dihydro-2H-1,3-benzodioxol-5-oneFormula:
C21H28O9Smiles:
C=CCC1(CC=C(C)COC2OC(CO)C(O)C(O)C2O)C=C2OCOC2=CC1=OAglycone:
C=CCC1(CC=C(C)CO)C=C2OCOC2=CC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 8 |
| MolWt: | 424.45 | Num_heavy_atoms: | 30 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD51074
Formula: C15H18O4
Smiles:
C=CCC1(CC=C(C)CO)C=C2OCOC2=CC1=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 262.3 | Num_heavy_atoms: | 19 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
