Glycoside
GD115834
Name:
CimicinolFormula:
C35H52O8Smiles:
CC1CC2OC3(CC4(C)CC5=CCC6C(=CCC(OC7OCC(O)C(O)C7O)C6(C)C)CC5=CC4(C)C13)OC2C(C)(C)OAglycone:
CC1CC2OC3(CC4(C)CC5=CCC6C(=CCC(O)C6(C)C)CC5=CC4(C)C13)OC2C(C)(C)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 600.79 | Num_heavy_atoms: | 43 |
| TPSA: | 117.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD45897
Formula: C30H44O4
Smiles:
CC1CC2OC3(CC4(C)CC5=CCC6C(=CCC(O)C6(C)C)CC5=CC4(C)C13)OC2C(C)(C)O| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 5.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 468.68 | Num_heavy_atoms: | 34 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
