Glycoside
GD146196
Name:
methyl 5,6-dihydroxy-7-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C26H32O14Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(=O)C=Cc3ccc(O)cc3)C(O)C(O)C12Aglycone:
COC(=O)C1=COC(O)C2C(COC(=O)C=Cc3ccc(O)cc3)C(O)C(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 8 |
| MolWt: | 568.53 | Num_heavy_atoms: | 40 |
| TPSA: | 221.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD58635
Formula: C20H22O9
Smiles:
COC(=O)C1=COC(O)C2C(COC(=O)C=Cc3ccc(O)cc3)C(O)C(O)C12| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 406.39 | Num_heavy_atoms: | 29 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
