Glycoside
GD147205
Name:
2-({19-ethenyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹â°.0â´,â¹.0¹âµ,²â°]henicosa-2(10),4,6,8,15-pentaen-18-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetateFormula:
C28H32O9N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2OC(C)=O)OC=C2C(=O)N3CCc4c([nH]c5ccccc45)C3CC21Aglycone:
C=CC1C(O)OC=C2C(=O)N3CCc4c([nH]c5ccccc45)C3CC21Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 540.57 | Num_heavy_atoms: | 39 |
| TPSA: | 150.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD05340
Formula: C20H20O3N2
Smiles:
C=CC1C(O)OC=C2C(=O)N3CCc4c([nH]c5ccccc45)C3CC21| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 1 |
| MolWt: | 336.39 | Num_heavy_atoms: | 25 |
| TPSA: | 65.56 | NumAromaticRings: | 2 |
