Glycoside
GD150943
Name:
Polygalaxanthone IxFormula:
C25H28O14Smiles:
CC1OC(OC2C(Oc3cc(O)c4c(=O)c5cc(O)ccc5oc4c3)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1c2cc(O)ccc2oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 552.49 | Num_heavy_atoms: | 39 |
| TPSA: | 228.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD52662
Formula: C13H8O5
Smiles:
O=c1c2cc(O)ccc2oc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 244.2 | Num_heavy_atoms: | 18 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
