Glycoside
GD004589
Name:
4'-O-Methylneobavaisoflavone 7-O-(2''-P-Coumaroylglucoside)Formula:
C36H36O11Smiles:
COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4OC(=O)C=Cc4ccc(O)cc4)ccc3c2=O)cc1CC=C(C)CAglycone:
COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1CC=C(C)C.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 4.13 | Num_rotatable_bonds: | 10 |
| MolWt: | 644.67 | Num_heavy_atoms: | 47 |
| TPSA: | 165.12 | NumAromaticRings: | 4 |
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 |
AD03986
Formula: C21H20O4
Smiles:
COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1CC=C(C)C| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 4.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 336.39 | Num_heavy_atoms: | 25 |
| TPSA: | 59.67 | NumAromaticRings: | 3 |
