Glycoside
GD029434
Name:
Gypenoside Gc7Formula:
C48H82O19Smiles:
C[C@@H]1O[C@H](OC[C@@H]2O[C@H](O[C@@](C)(CC=CC(C)(C)O)[C@@H]3CC[C@]4(C)[C@H]3[C@H](O)C[C@@H]3[C@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]34C)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(C)(O)C=CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CC(O)C(O)C(C)(C)C3CCC12CSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.96 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 12 |
| MolWt: | 963.17 | Num_heavy_atoms: | 67 |
| TPSA: | 318.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD19147
Formula: C30H52O5
Smiles:
CC(C)(O)C=CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CC(O)C(O)C(C)(C)C3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
