Glycoside
GD157124
Name:
[5-hydroxy-1,4a-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-1H,4aH,5H,7aH-cyclopenta[c]pyran-7-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C30H38O17Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1=CC(O)C2(OC3OC(CO)C(O)C(O)C3O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
O=C(C=Cc1ccc(O)cc1)OCC1=CC(O)C2(O)C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.57 |
| AlogP: | -3.89 | Num_rotatable_bonds: | 10 |
| MolWt: | 670.62 | Num_heavy_atoms: | 47 |
| TPSA: | 274.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD58731
Formula: C18H18O7
Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1=CC(O)C2(O)C=COC(O)C12| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 346.34 | Num_heavy_atoms: | 25 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
