Glycoside
GD136881
Name:
5,21-dichloro-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:
C28H19O7N3Cl2Smiles:
O=C1N=C(O)c2c1c1c3cccc(Cl)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(Cl)cccc3c21Aglycone:
O=C1N=C(O)c2c1c1c3cccc(Cl)c3[nH]c1c1[nH]c3c(Cl)cccc3c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.23 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 556.36 | Num_heavy_atoms: | 38 |
| TPSA: | 160.53 | NumAromaticRings: | 5 |
Unique Aglycone
AD55323
Formula: C22H9O2N3Cl2
Smiles:
O=C1N=C(O)c2c1c1c3cccc(Cl)c3[nH]c1c1[nH]c3c(Cl)cccc3c21| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 5.72 | Num_rotatable_bonds: | 0 |
| MolWt: | 394.22 | Num_heavy_atoms: | 27 |
| TPSA: | 81.24 | NumAromaticRings: | 5 |
