Glycoside
GD135788
Name:
6-({3,5-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxan-4-yl}oxy)oxane-2,3,4,5-tetrolFormula:
C21H32O13Smiles:
COc1cc(C(C)COC2OC(CO)C(O)C(OC3OC(O)C(O)C(O)C3O)C2O)ccc1OAglycone:
COc1cc(C(C)CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(OC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.71 |
| AlogP: | -2.9 | Num_rotatable_bonds: | 8 |
| MolWt: | 492.47 | Num_heavy_atoms: | 34 |
| TPSA: | 207.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD49813
Formula: C10H14O3
Smiles:
COc1cc(C(C)CO)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 182.22 | Num_heavy_atoms: | 13 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
