Glycoside
GD034191
Name:
3-({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,3,4-trihydroxybutanoic acidFormula:
C14H16O9Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC(O)(CO)C(O)C(=O)OAglycone:
O=CC=Cc1ccc(O)c(O)c1Sugarmoiety:
O=C(O)C(O)C(O)(CO)COOOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 328.27 | Num_heavy_atoms: | 23 |
| TPSA: | 164.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD03296
Formula: C9H8O3
Smiles:
O=CC=Cc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
