Glycoside

GD067798
Name:
3-hydroxy-2-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-3-(methoxycarbonyl)pentanedioic acidFormula:
C16H16O10Smiles:
COC(=O)[C@@](O)(CC(=O)O)[C@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)OAglycone:
O=CC=Cc1ccc(O)cc1Sugarmoiety:
COC(=O)C(O)(CC(=O)O)C(OO)C(=O)OOther Identifiers
Properties
HBA: | 10 | RingCount: | 1 |
HBD: | 4 | FractionCSP3: | 0.25 |
AlogP: | -0.22 | Num_rotatable_bonds: | 8 |
MolWt: | 368.29 | Num_heavy_atoms: | 26 |
TPSA: | 167.66 | NumAromaticRings: | 1 |
Unique Aglycone
AD03800
Formula: C9H8O2
Smiles:
O=CC=Cc1ccc(O)cc1HBA: | 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 |