Glycoside
GD107763
Name:
NoneFormula:
C31H41O11NSmiles:
C=CCO[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](COCc2ccccc2)O[C@H](OCc2ccccc2)[C@@H]1NC(C)=OAglycone:
COCc1ccccc1.OCc1ccccc1Sugarmoiety:
C=CCOC1C(NC(C)=O)OOC(CO)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 14 |
| MolWt: | 603.67 | Num_heavy_atoms: | 43 |
| TPSA: | 165.4 | NumAromaticRings: | 2 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
