Glycoside
GD127279
Name:
Cimiracemoside FFormula:
C37H56O11Smiles:
CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CC=C3C2(C)CC3OC4(O)C(OC(C)(C)C4O)C(C)C3C12CAglycone:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CC=C3C2(C)CC3OC4(O)C(OC(C)(C)C4O)C(C)C3C12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 676.84 | Num_heavy_atoms: | 48 |
| TPSA: | 164.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD51537
Formula: C32H48O7
Smiles:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CC=C3C2(C)CC3OC4(O)C(OC(C)(C)C4O)C(C)C3C12C| HBA: | 7 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 544.73 | Num_heavy_atoms: | 39 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
