Glycoside
GD141543
Name:
2-({19-ethenyl-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹â°.0â´,â¹.0¹âµ,²â°]henicosa-2(10),4,6,8-tetraen-18-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H34O7N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OCC2CN3CCc4c([nH]c5ccccc45)C3CC21Aglycone:
C=CC1C(O)OCC2CN3CCc4c([nH]c5ccccc45)C3CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 486.57 | Num_heavy_atoms: | 35 |
| TPSA: | 127.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD57010
Formula: C20H24O2N2
Smiles:
C=CC1C(O)OCC2CN3CCc4c([nH]c5ccccc45)C3CC21| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 324.42 | Num_heavy_atoms: | 24 |
| TPSA: | 48.49 | NumAromaticRings: | 2 |
