Glycoside
GD007914
Name:
PUNICEASIDE BFormula:
C32H28O17Smiles:
O=c1c2c(oc3cc(O)c(-c4cc(O)c5oc6cc(O)cc(O)c6c(=O)c5c4O)c(O)c13)[C@H](O)CC[C@H]2O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=c1c2c(oc3cc(O)c(-c4cc(O)c5oc6cc(O)cc(O)c6c(=O)c5c4O)c(O)c13)C(O)CCC2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.31 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 684.56 | Num_heavy_atoms: | 49 |
| TPSA: | 301.41 | NumAromaticRings: | 5 |
Unique Aglycone
AD06386
Formula: C26H18O12
Smiles:
O=c1c2c(oc3cc(O)c(-c4cc(O)c5oc6cc(O)cc(O)c6c(=O)c5c4O)c(O)c13)C(O)CCC2O| HBA: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.15 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 522.42 | Num_heavy_atoms: | 38 |
| TPSA: | 222.26 | NumAromaticRings: | 5 |
