Glycoside
GD151877
Name:
Sinomarinoside DFormula:
C42H68O16Smiles:
COC1CC(OC2CCC3(C)C(=CCC4(O)C3CC(O)C3(C)C(O)(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1Aglycone:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(O)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1Other Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 10 |
| MolWt: | 828.99 | Num_heavy_atoms: | 58 |
| TPSA: | 221.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD18254
Formula: C21H32O6
Smiles:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(O)C12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 380.48 | Num_heavy_atoms: | 27 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
