Glycoside
GD008659
Name:
NoneFormula:
C31H31O5N9Smiles:
O=C(NN=Nc1nc(NCC(c2ccccc2)c2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1)Nc1ccccc1Aglycone:
O=C(NN=Nc1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2)Nc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.23 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 10 |
| MolWt: | 609.65 | Num_heavy_atoms: | 45 |
| TPSA: | 191.4 | NumAromaticRings: | 5 |
Unique Aglycone
AD06887
Formula: C26H22ON9
Smiles:
O=C(NN=Nc1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2)Nc1ccccc1| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 5.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 476.52 | Num_heavy_atoms: | 36 |
| TPSA: | 130.12 | NumAromaticRings: | 4 |
