Glycoside
GD131576
Name:
(2-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3-phenylprop-2-enoyl)oxy]oxan-2-yl]oxy}phenyl)methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylateFormula:
C29H30O11Smiles:
O=C(C=Cc1ccccc1)OC1C(Oc2ccccc2COC(=O)C2(O)C=CCCC2=O)OC(CO)C(O)C1OAglycone:
O=C(O)C=Cc1ccccc1.O=C1CCC=CC1(O)C(=O)OCc1ccccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.34 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 9 |
| MolWt: | 554.55 | Num_heavy_atoms: | 40 |
| TPSA: | 169.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD00362
Formula: C9H8O2
Smiles:
O=C(O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD07841
Formula: C14H14O5
Smiles:
O=C1CCC=CC1(O)C(=O)OCc1ccccc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 262.26 | Num_heavy_atoms: | 19 |
| TPSA: | 83.83 | NumAromaticRings: | 1 |
