Glycoside
GD126303
Name:
4,5-dihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]-2-(3,4,5-trihydroxyphenoxy)oxan-3-yl 3,4,5-trihydroxybenzoateFormula:
C26H24O17Smiles:
O=C(OCC1OC(Oc2cc(O)c(O)c(O)c2)C(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C1O)c1cc(O)c(O)c(O)c1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.O=C(O)c1cc(O)c(O)c(O)c1.Oc1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.23 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 608.46 | Num_heavy_atoms: | 43 |
| TPSA: | 293.59 | NumAromaticRings: | 3 |
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 |
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
AD19644
Formula: C6H6O4
Smiles:
Oc1cc(O)c(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 0 |
| MolWt: | 142.11 | Num_heavy_atoms: | 10 |
| TPSA: | 80.92 | NumAromaticRings: | 1 |
