Glycoside
GD022202
Name:
TARENNINOSIDE DFormula:
C26H28O14Smiles:
COc1cc(C=CC(=O)OC[C@@H]2O[C@H](O[C@@H]3OC=C(C(=O)O)[C@@H]4CC=C(C(=O)O)[C@H]34)[C@H](O)[C@H](O)[C@H]2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.O=C(O)C1=COC(O)C2C(C(=O)O)=CCC12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 9 |
| MolWt: | 564.5 | Num_heavy_atoms: | 40 |
| TPSA: | 218.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD01005
Formula: C10H10O6
Smiles:
O=C(O)C1=COC(O)C2C(C(=O)O)=CCC12| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 226.18 | Num_heavy_atoms: | 16 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
