Glycoside
GD031344
Name:
19-ethenyl-7-hydroxy-18-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹â°.0â´,â¹.0¹âµ,²â°]henicosa-2(10),4,6,8,15-pentaen-14-oneFormula:
C26H30O9N2Smiles:
C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N3CCc4c([nH]c5ccc(O)cc45)[C@H]3C[C@H]21Aglycone:
C=CC1C(O)OC=C2C(=O)N3CCc4c([nH]c5ccc(O)cc45)C3CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 514.53 | Num_heavy_atoms: | 37 |
| TPSA: | 164.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD20205
Formula: C20H20O4N2
Smiles:
C=CC1C(O)OC=C2C(=O)N3CCc4c([nH]c5ccc(O)cc45)C3CC21| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 352.39 | Num_heavy_atoms: | 26 |
| TPSA: | 85.79 | NumAromaticRings: | 2 |
