Glycoside
GD119646
Name:
methyl 1-{[6-({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-7-(hydroxymethyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C26H30O14Smiles:
COC(=O)C1=COC(OC2OC(COC(=O)C=Cc3ccc(O)c(O)c3)C(O)C(O)C2O)C2C(CO)=CC(O)C12Aglycone:
COC(=O)C1=COC(O)C2C(CO)=CC(O)C12.COC(=O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 8 |
| MolWt: | 566.51 | Num_heavy_atoms: | 40 |
| TPSA: | 221.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD07800
Formula: C11H14O6
Smiles:
COC(=O)C1=COC(O)C2C(CO)=CC(O)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 242.23 | Num_heavy_atoms: | 17 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
