Glycoside
GD118899
Name:
2,2-bis({2,5-dihydroxy-3-[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]-4,6-dioxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-1-en-1-yl})acetic acidFormula:
C44H44O24Smiles:
O=C(O)C(C1=C(O)C(=C(O)C=Cc2ccc(O)cc2)C(=O)C(O)(C2OC(CO)C(O)C(O)C2O)C1=O)C1=C(O)C(=C(O)C=Cc2ccc(O)cc2)C(=O)C(O)(C2OC(CO)C(O)C(O)C2O)C1=OAglycone:
O=C1C(=C(O)C=Cc2ccc(O)cc2)C(O)=C(C(C(=O)O)C2=C(O)C(=C(O)C=Cc3ccc(O)cc3)C(=O)C(O)C2=O)C(=O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 6 |
| HBD: | 17 | FractionCSP3: | 0.34 |
| AlogP: | -3.78 | Num_rotatable_bonds: | 11 |
| MolWt: | 956.81 | Num_heavy_atoms: | 68 |
| TPSA: | 447.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD47580
Formula: C32H24O14
Smiles:
O=C1C(=C(O)C=Cc2ccc(O)cc2)C(O)=C(C(C(=O)O)C2=C(O)C(=C(O)C=Cc3ccc(O)cc3)C(=O)C(O)C2=O)C(=O)C1O| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.09 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 632.53 | Num_heavy_atoms: | 46 |
| TPSA: | 267.42 | NumAromaticRings: | 2 |
