Glycoside
GD017053
Name:
methyl 5-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C27H32O14Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=C[C@H](OC(=O)C=Cc3ccc(O)c(OC)c3)[C@H]12Aglycone:
COC(=O)C1=COC(O)C2C(CO)=CC(OC(=O)C=Cc3ccc(O)c(OC)c3)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 580.54 | Num_heavy_atoms: | 41 |
| TPSA: | 210.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD12218
Formula: C21H22O9
Smiles:
COC(=O)C1=COC(O)C2C(CO)=CC(OC(=O)C=Cc3ccc(O)c(OC)c3)C12| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 418.4 | Num_heavy_atoms: | 30 |
| TPSA: | 131.75 | NumAromaticRings: | 1 |
