Glycoside
GD117216
Name:
5,21-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.0²,¹â°.0â´,â¹.0¹¹,¹âµ.0¹â·,²²]tricosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaene-12,14-dioneFormula:
C26H21O9N3Smiles:
O=C1N=C(O)c2c1c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21Aglycone:
O=C1N=C(O)c2c1c1c3cccc(O)c3[nH]c1c1[nH]c3c(O)cccc3c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.23 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 519.47 | Num_heavy_atoms: | 38 |
| TPSA: | 200.99 | NumAromaticRings: | 5 |
Unique Aglycone
AD46700
Formula: C20H11O4N3
Smiles:
O=C1N=C(O)c2c1c1c3cccc(O)c3[nH]c1c1[nH]c3c(O)cccc3c21| HBA: | 7 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 0 |
| MolWt: | 357.33 | Num_heavy_atoms: | 27 |
| TPSA: | 121.7 | NumAromaticRings: | 5 |
