Glycoside
GD002758
Name:
TARENNINOSIDE FFormula:
C26H28O14Smiles:
COc1cc(C=CC(=O)O[C@@H]2[C@H](CO)O[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]2O)ccc1OAglycone:
COc1cc(C=CC(=O)O)ccc1O.O=C(O)C1=COC(O)C2C(C(=O)O)=CCC12Sugarmoiety:
OCC1OC(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
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | 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 |
