Glycoside
GD036546
Name:
NoneFormula:
C20H21O6N6ClSSmiles:
NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N[C@@H]4CCc5ccccc54)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
COS(N)(=O)=O.Clc1nc2c(c(NC3CCc4ccccc43)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 496.93 | Num_heavy_atoms: | 33 |
| TPSA: | 174.71 | NumAromaticRings: | 3 |
Unique Aglycone
AD00036
Formula: CH5O3NS
Smiles:
COS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.39 | NumAromaticRings: | 0 |
AD23036
Formula: C15H11N5Cl
Smiles:
Clc1nc2c(c(NC3CCc4ccccc43)n1)N=C[N]2| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.73 | Num_heavy_atoms: | 20 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
