Glycoside
GD141546
Name:
(3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl)methyl 2-methylbutanoateFormula:
C20H26O9Smiles:
CCC(C)C(=O)OCC1OC(OC(=O)C=Cc2ccc(O)cc2)C(O)C(O)C1OAglycone:
CCC(C)C(=O)OC.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 410.42 | Num_heavy_atoms: | 29 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD17547
Formula: C6H12O2
Smiles:
CCC(C)C(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
