Glycoside
GD124624
Name:
Anthemis Glycoside AFormula:
C39H49O21NSmiles:
N#CC(OC1OC(COC2OCC(OC(=O)C=Cc3ccc(OC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4O)cc3)C(O)C2O)C(O)C(O)C1O)c1ccccc1Aglycone:
N#CC(O)c1ccccc1.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.59 |
| AlogP: | -4.56 | Num_rotatable_bonds: | 14 |
| MolWt: | 867.81 | Num_heavy_atoms: | 61 |
| TPSA: | 346.46 | NumAromaticRings: | 2 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD02610
Formula: C8H7ON
Smiles:
N#CC(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 133.15 | Num_heavy_atoms: | 10 |
| TPSA: | 44.02 | NumAromaticRings: | 1 |
