Glycoside
GD133341
Name:
methyl 4'-[hydroxy(4-hydroxyphenyl)methyl]-4a-methyl-5'-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,7a-dihydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylateFormula:
C27H30O13Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C3(C=CC12C)C=C(C(O)c1ccc(O)cc1)C(=O)O3Aglycone:
COC(=O)C1=COC(O)C2C3(C=CC12C)C=C(C(O)c1ccc(O)cc1)C(=O)O3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 562.52 | Num_heavy_atoms: | 40 |
| TPSA: | 201.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD53970
Formula: C21H20O8
Smiles:
COC(=O)C1=COC(O)C2C3(C=CC12C)C=C(C(O)c1ccc(O)cc1)C(=O)O3| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 400.38 | Num_heavy_atoms: | 29 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
