Glycoside
GD127942
Name:
Puniceaside DFormula:
C45H30O23Smiles:
O=c1c2cc(O)c(O)cc2oc2c(-c3cc(O)c4oc5cc(O)c(-c6cc(O)c7oc8cc(O)cc(O)c8c(=O)c7c6O)c(O)c5c(=O)c4c3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12Aglycone:
O=c1c2cc(O)c(O)cc2oc2c(-c3cc(O)c4oc5cc(O)c(-c6cc(O)c7oc8cc(O)cc(O)c8c(=O)c7c6O)c(O)c5c(=O)c4c3O)c(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 10 |
| HBD: | 16 | FractionCSP3: | 0.13 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 938.71 | Num_heavy_atoms: | 68 |
| TPSA: | 423.54 | NumAromaticRings: | 9 |
Unique Aglycone
AD51827
Formula: C39H20O18
Smiles:
O=c1c2cc(O)c(O)cc2oc2c(-c3cc(O)c4oc5cc(O)c(-c6cc(O)c7oc8cc(O)cc(O)c8c(=O)c7c6O)c(O)c5c(=O)c4c3O)c(O)cc(O)c12| HBA: | 18 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.0 |
| AlogP: | 5.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 776.57 | Num_heavy_atoms: | 57 |
| TPSA: | 333.39 | NumAromaticRings: | 9 |
