Glycoside
GD117309
Name:
Sarasinoside NFormula:
C50H80O16N2Smiles:
CC(C)=CC(=O)CC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(OC2OCC(OC4OC(CO)C(O)C(O)C4N=C(C)O)C(O)C2OC2OC(CO)C(O)C(O)C2N=C(C)O)C(C)(C)C1CC3Aglycone:
CC(C)=CC(=O)CC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(C)(C)C1CC3Sugarmoiety:
CC(O)=NC1C(OC2COC(O)C(OC3OC(CO)C(O)C(O)C3N=C(C)O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.86 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 14 |
| MolWt: | 965.19 | Num_heavy_atoms: | 68 |
| TPSA: | 279.24 | NumAromaticRings: | 0 |
Unique Aglycone
AD04092
Formula: C29H46O2
Smiles:
CC(C)=CC(=O)CC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(C)(C)C1CC3| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 7.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 426.69 | Num_heavy_atoms: | 31 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
