Glycoside
GD123118
Name:
Cimiracemoside IFormula:
C35H52O8Smiles:
CC1CC2(OCC3(C)OC32)OC2CC3(C)C4=CCC5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC56CC46CCC3(C)C12Aglycone:
CC1CC2(OCC3(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: | 4.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 600.79 | Num_heavy_atoms: | 43 |
| TPSA: | 110.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD49661
Formula: C30H44O4
Smiles:
CC1CC2(OCC3(C)OC32)OC2CC3(C)C4=CCC5C(C)(C)C(O)CCC56CC46CCC3(C)C12| HBA: | 4 | RingCount: | 8 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 5.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 468.68 | Num_heavy_atoms: | 34 |
| TPSA: | 51.22 | NumAromaticRings: | 0 |
