Glycoside
GD035956
Name:
NoneFormula:
C41H52O18Smiles:
CC(C)C[C@](O)(CC(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(=O)OCc1ccc(O[C@@H]2O[C@H](COCc3ccc(O)cc3)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CC(C)CC(O)(CC(=O)OCc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1.COCc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.51 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 18 |
| MolWt: | 832.85 | Num_heavy_atoms: | 59 |
| TPSA: | 280.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD07301
Formula: C22H26O7
Smiles:
CC(C)CC(O)(CC(=O)OCc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 402.44 | Num_heavy_atoms: | 29 |
| TPSA: | 113.29 | NumAromaticRings: | 2 |
AD21265
Formula: C8H10O2
Smiles:
COCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
