Glycoside
GD005432
Name:
Paniculoside IvFormula:
C26H42O9Smiles:
C[C@@]12CCC[C@@](C)(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@](O)(CO)C3Aglycone:
CC1(C(=O)O)CCCC2(C)C3CCC4CC3(CCC12)CC4(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.96 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 498.61 | Num_heavy_atoms: | 35 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD04617
Formula: C20H32O4
Smiles:
CC1(C(=O)O)CCCC2(C)C3CCC4CC3(CCC12)CC4(O)CO| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 336.47 | Num_heavy_atoms: | 24 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
