Glycoside
GD139214
Name:
1-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-2-hydroxypropane-1,2,3-tricarboxylic acidFormula:
C15H14O11Smiles:
O=C(O)CC(O)(C(=O)O)C(OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)OAglycone:
O=CC=Cc1ccc(O)c(O)c1Sugarmoiety:
O=C(O)CC(O)(C(=O)O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.2 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 8 |
| MolWt: | 370.27 | Num_heavy_atoms: | 26 |
| TPSA: | 198.89 | 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 |
