Glycoside
GD126044
Name:
Puniceaside CFormula:
C45H34O23Smiles:
O=c1c2c(oc3cc(O)c(-c4cc(O)c5oc6cc(O)c(-c7cc(O)c8oc9cc(O)cc(O)c9c(=O)c8c7O)c(O)c6c(=O)c5c4O)c(O)c13)C(O)CCC2OC1OC(CO)C(O)C(O)C1OAglycone:
O=c1c2c(oc3cc(O)c(-c4cc(O)c5oc6cc(O)c(-c7cc(O)c8oc9cc(O)cc(O)c9c(=O)c8c7O)c(O)c6c(=O)c5c4O)c(O)c13)C(O)CCC2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 10 |
| HBD: | 15 | FractionCSP3: | 0.22 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 942.74 | Num_heavy_atoms: | 68 |
| TPSA: | 412.54 | NumAromaticRings: | 8 |
Unique Aglycone
AD50983
Formula: C39H24O18
Smiles:
O=c1c2c(oc3cc(O)c(-c4cc(O)c5oc6cc(O)c(-c7cc(O)c8oc9cc(O)cc(O)c9c(=O)c8c7O)c(O)c6c(=O)c5c4O)c(O)c13)C(O)CCC2O| HBA: | 18 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.1 |
| AlogP: | 4.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 780.6 | Num_heavy_atoms: | 57 |
| TPSA: | 333.39 | NumAromaticRings: | 8 |
