Glycoside
GD016847
Name:
LUZONOSIDE BFormula:
C30H40O14Smiles:
CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2C[C@H](OC(=O)C=Cc3ccc(O)cc3)[C@](O)(CO)[C@H]12Aglycone:
CC(C)CC(=O)OC1OC=C(CO)C2CC(OC(=O)C=Cc3ccc(O)cc3)C(O)(CO)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 11 |
| MolWt: | 624.64 | Num_heavy_atoms: | 44 |
| TPSA: | 221.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD12077
Formula: C24H30O9
Smiles:
CC(C)CC(=O)OC1OC=C(CO)C2CC(OC(=O)C=Cc3ccc(O)cc3)C(O)(CO)C12| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 462.5 | Num_heavy_atoms: | 33 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
