Glycoside
GD121167
Name:
(6-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoateFormula:
C23H28O14Smiles:
COc1cc(C(O)C(CO)OC2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)c1cc(O)c(O)c(O)c1.COc1cc(C(O)C(O)CO)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.43 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 9 |
| MolWt: | 528.46 | Num_heavy_atoms: | 37 |
| TPSA: | 236.06 | 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 |
AD12085
Formula: C10H14O5
Smiles:
COc1cc(C(O)C(O)CO)ccc1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 214.22 | Num_heavy_atoms: | 15 |
| TPSA: | 90.15 | NumAromaticRings: | 1 |
