Glycoside
GD151268
Name:
methyl 1-{[6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-7-(hydroxymethyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C32H40O17Smiles:
COC(=O)C1=COC(OC2OC(COC3OC(CO)C(OC(=O)C=Cc4ccc(O)cc4)C(O)C3O)C(O)C(O)C2O)C2C(CO)=CCC12Aglycone:
COC(=O)C1=COC(O)C2C(CO)=CCC12.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -2.43 | Num_rotatable_bonds: | 11 |
| MolWt: | 696.66 | Num_heavy_atoms: | 49 |
| TPSA: | 260.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD01075
Formula: C11H14O5
Smiles:
COC(=O)C1=COC(O)C2C(CO)=CCC12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 226.23 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
