Glycoside
GD149273
Name:
Sarasinoside KFormula:
C63H104O29N2Smiles:
COC1CC(C(C)CC(=O)CC(C)(C)O)C2(C)CCC3(O)C(=C12)CCC1C(C)(C)C(OC2OCC(OC4OC(CO)C(O)C(O)C4N=C(C)O)C(O)C2OC2OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C2N=C(C)O)CCC13CAglycone:
COC1CC(C(C)CC(=O)CC(C)(C)O)C2(C)CCC3(O)C(=C12)CCC1C(C)(C)C(O)CCC13CSugarmoiety:
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: | 31 | RingCount: | 9 |
| HBD: | 17 | FractionCSP3: | 0.92 |
| AlogP: | -3.07 | Num_rotatable_bonds: | 22 |
| MolWt: | 1353.51 | Num_heavy_atoms: | 94 |
| TPSA: | 487.23 | NumAromaticRings: | 0 |
Unique Aglycone
AD59701
Formula: C30H50O5
Smiles:
COC1CC(C(C)CC(=O)CC(C)(C)O)C2(C)CCC3(O)C(=C12)CCC1C(C)(C)C(O)CCC13C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 5.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 86.99 | 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