Glycoside
GD124431
Name:
Formononetin 7-O-(2'',6''-Di-O-(E-P-Coumaroyl)Glucoside)Formula:
C40H34O13Smiles:
COc1ccc(-c2coc3cc(OC4OC(COC(=O)C=Cc5ccc(O)cc5)C(O)C(O)C4OC(=O)C=Cc4ccc(O)cc4)ccc3c2=O)cc1Aglycone:
COC(=O)C=Cc1ccc(O)cc1.COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.17 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 11 |
| MolWt: | 722.7 | Num_heavy_atoms: | 53 |
| TPSA: | 191.42 | NumAromaticRings: | 5 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
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 |
AD08007
Formula: C16H12O4
Smiles:
COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 268.27 | Num_heavy_atoms: | 20 |
| TPSA: | 59.67 | NumAromaticRings: | 3 |
