Glycoside
GD077496
Name:
2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolane-3,4-diolFormula:
C20H24O8Smiles:
COc1cc(C[C@@]2(O)CO[C@H](c3ccc(O)c(OC)c3)[C@@]2(O)CO)ccc1OAglycone:
COc1cc(C)ccc1O.COc1ccccc1OSugarmoiety:
OCC1(O)C(O)OCC1(O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 392.4 | Num_heavy_atoms: | 28 |
| TPSA: | 128.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD16458
Formula: C8H10O2
Smiles:
COc1cc(C)ccc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
AD16459
Formula: C7H8O2
Smiles:
COc1ccccc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
