Glycoside
GD132132
Name:
Strangulatoside AFormula:
C45H75O9NSmiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(CN)C(O)C(O)C1O)OC(=O)CCCCCCCC=CCC=CCC=CCCAglycone:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCC=CCC=CCCSugarmoiety:
NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | 8.4 | Num_rotatable_bonds: | 33 |
| MolWt: | 774.09 | Num_heavy_atoms: | 55 |
| TPSA: | 157.77 | NumAromaticRings: | 0 |
Unique Aglycone
AD02397
Formula: C39H64O5
Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCC=CCC=CCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | 10.61 | Num_rotatable_bonds: | 30 |
| MolWt: | 612.94 | Num_heavy_atoms: | 44 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
