Glycoside
GD141016
Name:
Polyflavanostilbene AFormula:
C42H38O19Smiles:
O=C1C=C2OC(c3ccc(O)c(O)c3)C(OC(=O)c3cc(O)c(O)c(O)c3)C3c4c(O)cc(OC5OC(CO)C(O)C(O)C5O)cc4C4C(c5ccc(O)cc5)OC(O)(C1)C243Aglycone:
O=C1C=C2OC(c3ccc(O)c(O)c3)C(OC(=O)c3cc(O)c(O)c(O)c3)C3c4c(O)cc(O)cc4C4C(c5ccc(O)cc5)OC(O)(C1)C243Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.33 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 846.75 | Num_heavy_atoms: | 61 |
| TPSA: | 323.05 | NumAromaticRings: | 4 |
Unique Aglycone
AD56842
Formula: C36H28O14
Smiles:
O=C1C=C2OC(c3ccc(O)c(O)c3)C(OC(=O)c3cc(O)c(O)c(O)c3)C3c4c(O)cc(O)cc4C4C(c5ccc(O)cc5)OC(O)(C1)C243| HBA: | 14 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.22 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 684.61 | Num_heavy_atoms: | 50 |
| TPSA: | 243.9 | NumAromaticRings: | 4 |
