Glycoside
GD127049
Name:
2-{[3-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoyl]oxy}-3-(4-hydroxyphenyl)propanoic acidFormula:
C24H26O12Smiles:
O=C(C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1)OC(Cc1ccc(O)cc1)C(=O)OAglycone:
O=C(C=Cc1ccc(O)c(O)c1)OC(Cc1ccc(O)cc1)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 506.46 | Num_heavy_atoms: | 36 |
| TPSA: | 203.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD51430
Formula: C18H16O7
Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC(Cc1ccc(O)cc1)C(=O)O| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.11 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 344.32 | Num_heavy_atoms: | 25 |
| TPSA: | 124.29 | NumAromaticRings: | 2 |
