Glycoside
GD145416
Name:
Sinomarinoside EFormula:
C47H74O17Smiles:
CC=C(C)C(=O)OC1CC2C3(C)CCC(OC4CC(OC)C(OC5CC(OC)C(OC6OC(C)C(O)C(OC)C6O)C(C)O5)C(C)O4)CC3=CCC2(O)C2(O)CCC(O)(C(C)=O)C12CAglycone:
CC=C(C)C(=O)OC1CC2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(O)(C(C)=O)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1Other Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.87 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 12 |
| MolWt: | 911.09 | Num_heavy_atoms: | 64 |
| TPSA: | 227.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD20778
Formula: C26H38O7
Smiles:
CC=C(C)C(=O)OC1CC2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(O)(C(C)=O)C12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 462.58 | Num_heavy_atoms: | 33 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
