Glycoside
GD011771
Name:
Rarasaponin IFormula:
C48H76O17Smiles:
CC(=O)O[C@@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](O[C@@H]4CC[C@]5(C)[C@H](CC[C@]6(C)[C@H]5CC=C5[C@@H]7CC(C)(C)CCC7(C(=O)O)CC[C@]56C)[C@@]4(C)CO)OC[C@H](O)[C@H]3O)O[C@@H](C)[C@H]2O)OC[C@H](O)[C@H]1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
CC(=O)OC1C(OC2C(O)C(C)OC(OC3C(O)OCC(O)C3O)C2O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 9 |
| MolWt: | 925.12 | Num_heavy_atoms: | 65 |
| TPSA: | 260.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD00356
Formula: C30H48O4
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 6.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
