Glycoside
GD118532
Name:
2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-6-(hydroxymethyl)-4-[(2,3,4,5-tetrahydroxycyclohexyl)oxy]oxan-3-yl acetateFormula:
C22H32O13Smiles:
CC(=O)OC1C(OCCc2ccc(O)c(O)c2)OC(CO)C(O)C1OC1CC(O)C(O)C(O)C1OAglycone:
OC1CC(O)C(O)C(O)C1O.OCCc1ccc(O)c(O)c1Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.68 |
| AlogP: | -2.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 504.49 | Num_heavy_atoms: | 35 |
| TPSA: | 215.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD00128
Formula: C8H10O3
Smiles:
OCCc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
AD24353
Formula: C6H12O5
Smiles:
OC1CC(O)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -2.81 | Num_rotatable_bonds: | 0 |
| MolWt: | 164.16 | Num_heavy_atoms: | 11 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
