Glycoside
GD122984
Name:
(5-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-7-yl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C24H28O12Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC1=CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
O=C(C=Cc1ccc(O)c(O)c1)OCC1=CC(O)C2C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 508.48 | Num_heavy_atoms: | 36 |
| TPSA: | 195.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD49605
Formula: C18H18O7
Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC1=CC(O)C2C=COC(O)C12| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 346.34 | Num_heavy_atoms: | 25 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
