Glycoside
GD121689
Name:
3',5,7-Trihydroxy-4',6,8-Trimethoxyflavone; 5-O-(6-O-Acetyl-β-D-Glucopyranoside)Formula:
C26H28O14Smiles:
COc1ccc(-c2cc(=O)c3c(OC4OC(COC(C)=O)C(O)C(O)C4O)c(OC)c(O)c(OC)c3o2)cc1OAglycone:
COC(C)=O.COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 564.5 | Num_heavy_atoms: | 40 |
| TPSA: | 203.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD48996
Formula: C18H16O8
Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)cc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.32 | Num_heavy_atoms: | 26 |
| TPSA: | 118.59 | NumAromaticRings: | 3 |
