Glycoside
GD133752
Name:
2,3,4-trihydroxy-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}hexanedioic acidFormula:
C15H16O10Smiles:
O=C(C=Cc1ccc(O)cc1)OC(C(=O)O)C(O)C(O)C(O)C(=O)OAglycone:
O=CC=Cc1ccc(O)cc1Sugarmoiety:
O=C(O)C(O)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.27 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 356.28 | Num_heavy_atoms: | 25 |
| TPSA: | 181.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD03800
Formula: C9H8O2
Smiles:
O=CC=Cc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
