Glycoside
GD013872
Name:
NoneFormula:
C29H40O15Smiles:
O=C([O-])CC[C@@H]1O[C@H](O[C@@H]2CCCC[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H](Cc3ccccc3)C(=O)[O-])[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCC(=O)[O-].O=C([O-])C(O)Cc1ccccc1.OC1CCCCC1OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.72 |
| AlogP: | -4.15 | Num_rotatable_bonds: | 13 |
| MolWt: | 628.62 | Num_heavy_atoms: | 44 |
| TPSA: | 247.79 | NumAromaticRings: | 1 |
Unique Aglycone
AD00489
Formula: C6H12O2
Smiles:
OC1CCCCC1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
AD02554
Formula: C9H9O3
Smiles:
O=C([O-])C(O)Cc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 165.17 | Num_heavy_atoms: | 12 |
| TPSA: | 60.36 | NumAromaticRings: | 1 |
AD10288
Formula: C3H5O2
Smiles:
CCC(=O)[O-]| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 73.07 | Num_heavy_atoms: | 5 |
| TPSA: | 40.13 | NumAromaticRings: | 0 |
