Glycoside
GD126137
Name:
3,4,5-trihydroxy-6-({3-hydroxy-4-[3-(4-hydroxyphenyl)prop-2-enoyl]-5-methoxy-2-(3-methylbut-2-en-1-yl)phenyl}methyl)oxane-2-carboxylic acidFormula:
C28H32O10Smiles:
COc1cc(CC2OC(C(=O)O)C(O)C(O)C2O)c(CC=C(C)C)c(O)c1C(=O)C=Cc1ccc(O)cc1Aglycone:
COc1cc(C)c(CC=C(C)C)c(O)c1C(=O)C=Cc1ccc(O)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 9 |
| MolWt: | 528.55 | Num_heavy_atoms: | 38 |
| TPSA: | 173.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD51024
Formula: C22H24O4
Smiles:
COc1cc(C)c(CC=C(C)C)c(O)c1C(=O)C=Cc1ccc(O)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 4.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 352.43 | Num_heavy_atoms: | 26 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
