Glycoside
GD125632
Name:
[6-(4-{[4-ethyl-5-(4-hydroxy-3-methoxyphenyl)oxolan-3-yl]methyl}-2-methoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C37H44O13Smiles:
CCC1C(Cc2ccc(OC3OC(COC(=O)C=Cc4ccc(O)c(OC)c4)C(O)C(O)C3O)c(OC)c2)COC1c1ccc(O)c(OC)c1Aglycone:
CCC1C(Cc2ccc(O)c(OC)c2)COC1c1ccc(O)c(OC)c1.COC(=O)C=Cc1ccc(O)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 13 |
| MolWt: | 696.75 | Num_heavy_atoms: | 50 |
| TPSA: | 182.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD50812
Formula: C21H26O5
Smiles:
CCC1C(Cc2ccc(O)c(OC)c2)COC1c1ccc(O)c(OC)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 4.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 358.43 | Num_heavy_atoms: | 26 |
| TPSA: | 68.15 | NumAromaticRings: | 2 |
