Glycoside
GD107229
Name:
TremulacinFormula:
C27H28O11Smiles:
O=C(O[C@H]1[C@H](Oc2ccccc2COC(=O)[C@@]2(O)C=CCCC2=O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccccc1Aglycone:
O=C(O)c1ccccc1.O=C1CCC=CC1(O)C(=O)OCc1ccccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 528.51 | Num_heavy_atoms: | 38 |
| TPSA: | 169.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD07841
Formula: C14H14O5
Smiles:
O=C1CCC=CC1(O)C(=O)OCc1ccccc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 262.26 | Num_heavy_atoms: | 19 |
| TPSA: | 83.83 | NumAromaticRings: | 1 |
