Glycoside
GD149086
Name:
Sarasinoside QFormula:
C62H100O28N2Smiles:
CC(C)=CC(=O)CC(C)C1CCC2=C3CCC4C(C)(C)C(OC5OCC(OC6OC(CO)C(O)C(O)C6N=C(C)O)C(O)C5OC5OC(COC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5N=C(C)O)CCC4(C)C(O)(CCC21C)O3Aglycone:
CC(C)=CC(=O)CC(C)C1CCC2=C3CCC4C(C)(C)C(O)CCC4(C)C(O)(CCC21C)O3Sugarmoiety:
CC(O)=NC1C(OC2COC(O)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3N=C(C)O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 9 |
| HBD: | 16 | FractionCSP3: | 0.89 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 20 |
| MolWt: | 1321.47 | Num_heavy_atoms: | 92 |
| TPSA: | 467.0 | NumAromaticRings: | 0 |
Unique Aglycone
AD12159
Formula: C29H46O4
Smiles:
CC(C)=CC(=O)CC(C)C1CCC2=C3CCC4C(C)(C)C(O)CCC4(C)C(O)(CCC21C)O3| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 6.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 458.68 | Num_heavy_atoms: | 33 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
Sugarmoiety
SD04546
CC(O)=NC1C(OC2COC(O)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3N=C(C)O)C2O)OC(CO)C(O)C1O