Glycoside
GD019399
Name:
NoneFormula:
C39H52O14N8Smiles:
CN(C)CCCN1C(=O)c2ccc3c4c(c(NCc5cn([C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)nn5)cc(c24)C1=O)C(=O)N(CCCN(C)C)C3=OAglycone:
CN(C)CCCN1C(=O)c2ccc3c4c(c(NCC5=C[N]N=N5)cc(c24)C1=O)C(=O)N(CCCN(C)C)C3=OSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | -3.06 | Num_rotatable_bonds: | 16 |
| MolWt: | 856.89 | Num_heavy_atoms: | 61 |
| TPSA: | 293.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD09103
Formula: C27H31O4N8
Smiles:
CN(C)CCCN1C(=O)c2ccc3c4c(c(NCC5=C[N]N=N5)cc(c24)C1=O)C(=O)N(CCCN(C)C)C3=O| HBA: | 12 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.41 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 11 |
| MolWt: | 531.6 | Num_heavy_atoms: | 39 |
| TPSA: | 132.09 | NumAromaticRings: | 2 |
