Glycoside
GD148138
Name:
2-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoic acidFormula:
C24H26O13Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC(Cc1ccc(O)c(OC2OC(CO)C(O)C(O)C2O)c1)C(=O)OAglycone:
O=C(C=Cc1ccc(O)c(O)c1)OC(Cc1ccc(O)c(O)c1)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.33 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 9 |
| MolWt: | 522.46 | Num_heavy_atoms: | 37 |
| TPSA: | 223.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD48567
Formula: C18H16O8
Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC(Cc1ccc(O)c(O)c1)C(=O)O| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.11 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 360.32 | Num_heavy_atoms: | 26 |
| TPSA: | 144.52 | NumAromaticRings: | 2 |
