Glycoside
GD131219
Name:
{3-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C36H48O20Smiles:
COc1ccc(CCOC2OC(COC(=O)C=Cc3ccc(O)c(OC)c3)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2OC2OCC(O)C(O)C2O)cc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.COc1ccc(CCO)cc1OSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.58 |
| AlogP: | -2.97 | Num_rotatable_bonds: | 15 |
| MolWt: | 800.76 | Num_heavy_atoms: | 56 |
| TPSA: | 302.44 | NumAromaticRings: | 2 |
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 |
AD01182
Formula: C9H12O3
Smiles:
COc1ccc(CCO)cc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 168.19 | Num_heavy_atoms: | 12 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
