Glycoside
GD013200
Name:
NoneFormula:
C36H27O8N6ClSmiles:
COc1ccc2nc3c(c(C)nn3[C@@H]3O[C@H](COC(=O)c4cccnc4)[C@H](OC(=O)c4cccnc4)[C@H]3OC(=O)c3cccnc3)c(Cl)c2c1Aglycone:
COC(=O)c1cccnc1.COc1ccc2nc3c(c(Cl)c2c1)C(C)=N[N]3.O=C(O)c1cccnc1.O=C(O)c1cccnc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 4.95 | Num_rotatable_bonds: | 9 |
| MolWt: | 695.09 | Num_heavy_atoms: | 50 |
| TPSA: | 166.74 | NumAromaticRings: | 6 |
Unique Aglycone
AD02162
Formula: C13H9ON3Cl
Smiles:
COc1ccc2nc3c(c(Cl)c2c1)C(C)=N[N]3| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 246.68 | Num_heavy_atoms: | 17 |
| TPSA: | 48.58 | NumAromaticRings: | 2 |
AD05813
Formula: C7H7O2N
Smiles:
COC(=O)c1cccnc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 137.14 | Num_heavy_atoms: | 10 |
| TPSA: | 39.19 | NumAromaticRings: | 1 |
AD07870
Formula: C6H5O2N
Smiles:
O=C(O)c1cccnc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 123.11 | Num_heavy_atoms: | 9 |
| TPSA: | 50.19 | NumAromaticRings: | 1 |
