Glycoside
GD133521
Name:
{6-[1,2-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoateFormula:
C26H32O14Smiles:
COc1cc(C(O)C(O)OC2OC(COC(=O)C=Cc3cc(OC)c(O)c(OC)c3)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1.COc1cc(C(O)C(O)O)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 11 |
| MolWt: | 568.53 | Num_heavy_atoms: | 40 |
| TPSA: | 214.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD03982
Formula: C12H14O5
Smiles:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 238.24 | Num_heavy_atoms: | 17 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD54035
Formula: C9H12O5
Smiles:
COc1cc(C(O)C(O)O)ccc1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 200.19 | Num_heavy_atoms: | 14 |
| TPSA: | 90.15 | NumAromaticRings: | 1 |
