Glycoside
GD003246
Name:
NoneFormula:
C31H34O4N2Smiles:
C=CCO[C@@H]1O[C@H](CN)[C@H](OCc2ccc3ccccc3c2)[C@H](OCc2ccc3ccccc3c2)[C@H]1NAglycone:
OCc1ccc2ccccc2c1.OCc1ccc2ccccc2c1Sugarmoiety:
C=CCOC1OC(CN)C(O)C(O)C1NOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 4.68 | Num_rotatable_bonds: | 10 |
| MolWt: | 498.62 | Num_heavy_atoms: | 37 |
| TPSA: | 88.96 | NumAromaticRings: | 4 |
Unique Aglycone
AD01045
Formula: C11H10O
Smiles:
OCc1ccc2ccccc2c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 158.2 | Num_heavy_atoms: | 12 |
| TPSA: | 20.23 | NumAromaticRings: | 2 |
