Glycoside
GD125125
Name:
methyl 4'-(1-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}ethyl)-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:
C30H32O15Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C=CC21C=C(C(C)OC(=O)C=Cc2ccc(O)c(O)c2)C(=O)O1Aglycone:
COC(=O)C1=COC(O)C2C1C=CC21C=C(C(C)OC(=O)C=Cc2ccc(O)c(O)c2)C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 8 |
| MolWt: | 632.57 | Num_heavy_atoms: | 45 |
| TPSA: | 227.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD50599
Formula: C24H22O10
Smiles:
COC(=O)C1=COC(O)C2C1C=CC21C=C(C(C)OC(=O)C=Cc2ccc(O)c(O)c2)C(=O)O1| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 470.43 | Num_heavy_atoms: | 34 |
| TPSA: | 148.82 | NumAromaticRings: | 1 |
