Glycoside
GD037835
Name:
propyl 2-(acetylamino)-2-deoxy-4-o-[3-o-({1-[2-(3-hydroxyphenyl)-2-oxoethyl]-1h-1,2,3-triazol-4-yl}methyl)-beta-d-galactopyranosyl]-beta-d-glucopyranosideFormula:
C28H40O13N4Smiles:
CCCO[C@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](OCc3cn(CC(=O)c4cccc(O)c4)nn3)[C@@H]2O)[C@H](O)[C@@H]1NC(C)=OAglycone:
O=C(Cn1cc(CO)nn1)c1cccc(O)c1Sugarmoiety:
CCCOC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1NC(C)=OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -2.41 | Num_rotatable_bonds: | 14 |
| MolWt: | 640.64 | Num_heavy_atoms: | 45 |
| TPSA: | 244.41 | NumAromaticRings: | 2 |
Unique Aglycone
AD23749
Formula: C11H11O3N3
Smiles:
O=C(Cn1cc(CO)nn1)c1cccc(O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 233.23 | Num_heavy_atoms: | 17 |
| TPSA: | 88.24 | NumAromaticRings: | 2 |
