Glycoside
GD117757
Name:
5,7-Dihydroxy-4'-Methoxy-6,8-Di-C-Methylflavanone 7-(4,6-Digalloylglucoside)Formula:
C38H36O18Smiles:
COc1ccc(C2CC(=O)c3c(O)c(C)c(OC4OC(COC(=O)c5cc(O)c(O)c(O)c5)C(OC(=O)c5cc(O)c(O)c(O)c5)C(O)C4O)c(C)c3O2)cc1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.COc1ccc(C2CC(=O)c3c(O)c(C)c(O)c(C)c3O2)cc1.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.29 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 9 |
| MolWt: | 780.69 | Num_heavy_atoms: | 56 |
| TPSA: | 288.66 | NumAromaticRings: | 4 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
AD19157
Formula: C18H18O5
Smiles:
COc1ccc(C2CC(=O)c3c(O)c(C)c(O)c(C)c3O2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.28 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 314.34 | Num_heavy_atoms: | 23 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
