Glycoside
GD145040
Name:
3-(4-hydroxy-3-methoxyphenyl)-N-[2-(5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indol-3-yl)ethyl]prop-2-enamideFormula:
C26H30O9N2Smiles:
COc1cc(C=CC(O)=NCCc2c[nH]c3ccc(OC4OC(CO)C(O)C(O)C4O)cc23)ccc1OAglycone:
COc1cc(C=CC(O)=NCCc2c[nH]c3ccc(O)cc23)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 9 |
| MolWt: | 514.53 | Num_heavy_atoms: | 37 |
| TPSA: | 177.22 | NumAromaticRings: | 3 |
Unique Aglycone
AD58249
Formula: C20H20O4N2
Smiles:
COc1cc(C=CC(O)=NCCc2c[nH]c3ccc(O)cc23)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.15 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 6 |
| MolWt: | 352.39 | Num_heavy_atoms: | 26 |
| TPSA: | 98.07 | NumAromaticRings: | 3 |
