Glycoside
GD123320
Name:
3,5,7-Trihydroxy-4'-Methoxyflavone; 3-O-(2,3-Di-O-Acetyl-β-D-Glucopyranoside)Formula:
C26H26O13Smiles:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(OC(C)=O)C2OC(C)=O)cc1Aglycone:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 7 |
| MolWt: | 546.48 | Num_heavy_atoms: | 39 |
| TPSA: | 191.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD07766
Formula: C16H12O6
Smiles:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
