Glycoside
GD140877
Name:
4'-O-[Beta-D-Apiosyl(1-2)]-Beta-D-Glucosyl]-5-Hydroxyl-7-O-Sinapylflavano+Formula:
C37H40O18Smiles:
COc1cc(C=CC(=O)Oc2cc(O)c3c(c2)OC(c2ccc(OC4OC(CO)C(O)C(O)C4OC4OCC(O)(CO)C4O)cc2)CC3=O)cc(OC)c1OAglycone:
COc1cc(C=CC(=O)Oc2cc(O)c3c(c2)OC(c2ccc(O)cc2)CC3=O)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.41 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 12 |
| MolWt: | 772.71 | Num_heavy_atoms: | 55 |
| TPSA: | 269.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD56792
Formula: C26H22O9
Smiles:
COc1cc(C=CC(=O)Oc2cc(O)c3c(c2)OC(c2ccc(O)cc2)CC3=O)cc(OC)c1O| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 478.45 | Num_heavy_atoms: | 35 |
| TPSA: | 131.75 | NumAromaticRings: | 3 |
