Glycoside
GD125929
Name:
{3,4,5-trihydroxy-6-[4-(3-hydroxyprop-1-en-1-yl)-2,6-dimethoxyphenoxy]oxan-2-yl}methyl 3,5-dimethoxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]benzoateFormula:
C32H42O17Smiles:
COc1cc(C(=O)OCC2OC(Oc3c(OC)cc(C=CCO)cc3OC)C(O)C(O)C2O)cc(OC)c1OC1OC(C)C(O)C(O)C1OAglycone:
COC(=O)c1cc(OC)c(O)c(OC)c1.COc1cc(C=CCO)cc(OC)c1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 13 |
| MolWt: | 698.67 | Num_heavy_atoms: | 49 |
| TPSA: | 241.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD00094
Formula: C10H12O5
Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD05747
Formula: C11H14O4
Smiles:
COc1cc(C=CCO)cc(OC)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 210.23 | Num_heavy_atoms: | 15 |
| TPSA: | 58.92 | NumAromaticRings: | 1 |
