Glycoside
GD036633
Name:
NoneFormula:
C21H24O4N5ClSmiles:
OC[C@@H]1O[C@H](n2cnc3c(NCCCCc4ccccc4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
Clc1nc2c(c(NCCCCc3ccccc3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 8 |
| MolWt: | 433.9 | Num_heavy_atoms: | 30 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD23097
Formula: C16H15N5Cl
Smiles:
Clc1nc2c(c(NCCCCc3ccccc3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 300.77 | Num_heavy_atoms: | 21 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
