Glycoside
GD156686
Name:
[6-(3,4-dihydroxy-5-methoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoateFormula:
C20H22O13Smiles:
COc1cc(OC2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)cc(O)c1OAglycone:
COC(=O)c1cc(O)c(O)c(O)c1.COc1cc(O)cc(O)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.35 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 470.38 | Num_heavy_atoms: | 33 |
| TPSA: | 215.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD58820
Formula: C7H8O4
Smiles:
COc1cc(O)cc(O)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 156.14 | Num_heavy_atoms: | 11 |
| TPSA: | 69.92 | NumAromaticRings: | 1 |
