Glycoside
GD017661
Name:
NoneFormula:
C23H31O5N6ClSmiles:
C[C@]1(O)[C@H](O)[C@H](COC(=O)NC2CCCC2)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc21Aglycone:
COC(=O)NC1CCCC1.Clc1nc2c(c(NC3CCCC3)n1)N=C[N]2Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 494.98 | Num_heavy_atoms: | 34 |
| TPSA: | 143.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD00055
Formula: C11H11N5Cl
Smiles:
Clc1nc2c(c(NC3CCCC3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 236.69 | Num_heavy_atoms: | 16 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD11582
Formula: C7H13O2N
Smiles:
COC(=O)NC1CCCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 143.19 | Num_heavy_atoms: | 10 |
| TPSA: | 38.33 | NumAromaticRings: | 0 |
