Glycoside
GD029412
Name:
NoneFormula:
C21H32O9N6PClSSmiles:
CN(CC(C)(OC[C@@H]1O[C@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@H]1O)P(=O)(O)O)S(C)(=O)=OAglycone:
COC(C)(CN(C)S(C)(=O)=O)P(=O)(O)O.Clc1nc2c(c(NC3CCCC3)n1)C=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 10 |
| MolWt: | 599.0 | Num_heavy_atoms: | 38 |
| TPSA: | 209.46 | NumAromaticRings: | 2 |
Unique Aglycone
AD07274
Formula: C11H11N5Cl
Smiles:
Clc1nc2c(c(NC3CCCC3)n1)C=N[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 236.69 | Num_heavy_atoms: | 16 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD19136
Formula: C6H16O6NPS
Smiles:
COC(C)(CN(C)S(C)(=O)=O)P(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 261.24 | Num_heavy_atoms: | 15 |
| TPSA: | 104.14 | NumAromaticRings: | 0 |
