Glycoside
GD036208
Name:
[3,4,5-trihydroxy-6-(3-hydroxy-4,5-dimethoxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoateFormula:
C21H24O13Smiles:
COc1cc(O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@H](O)[C@H](O)[C@H]2O)cc(O)c1OCAglycone:
COC(=O)c1cc(O)c(O)c(O)c1.COc1cc(O)cc(O)c1OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 7 |
| MolWt: | 484.41 | Num_heavy_atoms: | 34 |
| TPSA: | 204.83 | 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 |
AD01391
Formula: C8H10O4
Smiles:
COc1cc(O)cc(O)c1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 170.16 | Num_heavy_atoms: | 12 |
| TPSA: | 58.92 | NumAromaticRings: | 1 |
