Glycoside
GD034884
Name:
NoneFormula:
C37H54O16Smiles:
COC(=O)[C@@H]1C[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H](CC3CCCCC3)C(=O)O)[C@H]2OC(=O)c2ccccc2)C1Aglycone:
COC(=O)C1CC(C)C(O)C(O)C1.O=C(O)C(O)CC1CCCCC1.O=C(O)c1ccccc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 13 |
| MolWt: | 754.82 | Num_heavy_atoms: | 53 |
| TPSA: | 237.2 | NumAromaticRings: | 1 |
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 |
AD00935
Formula: C9H16O3
Smiles:
O=C(O)C(O)CC1CCCCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 172.22 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD22118
Formula: C9H16O4
Smiles:
COC(=O)C1CC(C)C(O)C(O)C1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 188.22 | Num_heavy_atoms: | 13 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
