Glycoside
GD141093
Name:
19-ethyl-19-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0â´,â¹.0¹âµ,²â°]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dioneFormula:
C26H26O9N2Smiles:
CCC1(OC2OC(CO)C(O)C(O)C2O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1Aglycone:
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 510.5 | Num_heavy_atoms: | 37 |
| TPSA: | 160.57 | NumAromaticRings: | 3 |
Unique Aglycone
AD56867
Formula: C20H16O4N2
Smiles:
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 348.36 | Num_heavy_atoms: | 26 |
| TPSA: | 81.42 | NumAromaticRings: | 3 |
