Glycoside
GD135042
Name:
methyl 2-{6'-ethyl-5-[(6-hydroperoxy-3,4,5-trihydroxyoxan-2-yl)oxy]-2-oxo-1,2,3',5',6',7',8',8'a-octahydro-2'H-spiro[indole-3,1'-indolizin]-7'-yl}-3-methoxyprop-2-enoateFormula:
C27H36O11N2Smiles:
CCC1CN2CCC3(C(O)=Nc4ccc(OC5OC(OO)C(O)C(O)C5O)cc43)C2CC1C(=COC)C(=O)OCAglycone:
CCC1CN2CCC3(C(O)=Nc4ccc(O)cc43)C2CC1C(=COC)C(=O)OCSugarmoiety:
OOC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.63 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 7 |
| MolWt: | 564.59 | Num_heavy_atoms: | 40 |
| TPSA: | 179.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD49016
Formula: C22H28O5N2
Smiles:
CCC1CN2CCC3(C(O)=Nc4ccc(O)cc43)C2CC1C(=COC)C(=O)OC| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 400.48 | Num_heavy_atoms: | 29 |
| TPSA: | 91.59 | NumAromaticRings: | 1 |
