Glycoside
GD127127
Name:
methyl 3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-2,4-dihydroxy-2-methylbutanoateFormula:
C15H18O8Smiles:
COC(=O)C(C)(O)C(CO)OC(=O)C=Cc1ccc(O)c(O)c1Aglycone:
O=CC=Cc1ccc(O)c(O)c1Sugarmoiety:
COC(=O)C(C)(O)C(CO)OOOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 326.3 | Num_heavy_atoms: | 23 |
| TPSA: | 133.52 | 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 |
