Glycoside
GD035871
Name:
NoneFormula:
C23H32O6N8SSmiles:
NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(NCCN4CCN(Cc5ccccc5)CC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCCN2CCN(Cc3ccccc3)CC2)[N]1.COS(N)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 10 |
| MolWt: | 548.63 | Num_heavy_atoms: | 38 |
| TPSA: | 181.19 | 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 |
AD22665
Formula: C18H22N7
Smiles:
C1=Nc2c(ncnc2NCCN2CCN(Cc3ccccc3)CC2)[N]1| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.39 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 336.42 | Num_heavy_atoms: | 25 |
| TPSA: | 70.75 | NumAromaticRings: | 2 |
