Glycoside
GD121021
Name:
2,3,4-trihydroxyicosyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C30H50O7Smiles:
CCCCCCCCCCCCCCCCC(O)C(O)C(O)COC(=O)C=Cc1ccc(O)c(OC)c1Aglycone:
CCCCCCCCCCCCCCCC.COc1cc(C=CC=O)ccc1OSugarmoiety:
OOCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 5.91 | Num_rotatable_bonds: | 22 |
| MolWt: | 522.72 | Num_heavy_atoms: | 37 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD06867
Formula: C10H10O3
Smiles:
COc1cc(C=CC=O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD48674
Formula: C16H34
Smiles:
CCCCCCCCCCCCCCCC| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 6.49 | Num_rotatable_bonds: | 13 |
| MolWt: | 226.45 | Num_heavy_atoms: | 16 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
