Glycoside
GD130279
Name:
Sarasinoside RFormula:
C62H100O28N2Smiles:
CC(C)=CC(=O)CC(C)C1CCC2(C)C1=CCC1(O)C3(C)CCC(OC4OCC(OC5OC(CO)C(O)C(O)C5N=C(C)O)C(O)C4OC4OC(COC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4N=C(C)O)C(C)(C)C3CCC21OAglycone:
CC(C)=CC(=O)CC(C)C1CCC2(C)C1=CCC1(O)C3(C)CCC(O)C(C)(C)C3CCC21OSugarmoiety:
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: | 17 | FractionCSP3: | 0.89 |
| AlogP: | -2.92 | Num_rotatable_bonds: | 20 |
| MolWt: | 1321.47 | Num_heavy_atoms: | 92 |
| TPSA: | 478.0 | NumAromaticRings: | 0 |
Unique Aglycone
AD09785
Formula: C29H46O4
Smiles:
CC(C)=CC(=O)CC(C)C1CCC2(C)C1=CCC1(O)C3(C)CCC(O)C(C)(C)C3CCC21O| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 5.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 458.68 | Num_heavy_atoms: | 33 |
| TPSA: | 77.76 | 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