Glycoside
GD122674
Name:
6''-O-Alpha-D-Glucopyranosyl-6-O-Methyl-N-Deacetylisoipecosidic AcidFormula:
C31H43O16NSmiles:
C=CC1C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)OC=C(C(=O)O)C1CC1NCCc2cc(OC)c(O)cc21Aglycone:
C=CC1C(O)OC=C(C(=O)O)C1CC1NCCc2cc(OC)c(O)cc21Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.65 |
| AlogP: | -2.64 | Num_rotatable_bonds: | 11 |
| MolWt: | 685.68 | Num_heavy_atoms: | 48 |
| TPSA: | 266.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD49457
Formula: C19H23O6N
Smiles:
C=CC1C(O)OC=C(C(=O)O)C1CC1NCCc2cc(OC)c(O)cc21| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 361.39 | Num_heavy_atoms: | 26 |
| TPSA: | 108.25 | NumAromaticRings: | 1 |
