Glycoside
GD013601
Name:
CIMIRACEMOSIDE IFormula:
C36H54O8Smiles:
C[C@@H]1C[C@@]2(OCC[C@]3(C)O[C@H]32)O[C@@H]2C[C@]3(C)C4=CC[C@@H]5C(C)(C)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)CC[C@]56C[C@]46CC[C@@]3(C)[C@@H]12Aglycone:
CC1CC2(OCCC3(C)OC32)OC2CC3(C)C4=CCC5C(C)(C)C(O)CCC56CC46CCC3(C)C12Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 9 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 614.82 | Num_heavy_atoms: | 44 |
| TPSA: | 110.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD10120
Formula: C31H46O4
Smiles:
CC1CC2(OCCC3(C)OC32)OC2CC3(C)C4=CCC5C(C)(C)C(O)CCC56CC46CCC3(C)C12| HBA: | 4 | RingCount: | 8 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 6.02 | Num_rotatable_bonds: | 0 |
| MolWt: | 482.71 | Num_heavy_atoms: | 35 |
| TPSA: | 51.22 | NumAromaticRings: | 0 |
