Glycoside
GD120539
Name:
methyl 5-butoxy-1-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7-(hydroxymethyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C36H48O18Smiles:
CCCCOC1C=C(CO)C2C(OC3OC(CO)C(O)C(OC4OC(COC(=O)C=Cc5ccc(O)cc5)C(O)C(O)C4O)C3O)OC=C(C(=O)OC)C12Aglycone:
CCCCOC1C=C(CO)C2C(O)OC=C(C(=O)OC)C12.COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(OC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.61 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 15 |
| MolWt: | 768.76 | Num_heavy_atoms: | 54 |
| TPSA: | 269.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD48440
Formula: C15H22O6
Smiles:
CCCCOC1C=C(CO)C2C(O)OC=C(C(=O)OC)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 6 |
| MolWt: | 298.34 | Num_heavy_atoms: | 21 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
