Glycoside
GD023556
Name:
NoneFormula:
C24H26O5N6SSmiles:
NS(=O)(=O)CC[C@@H]1O[C@H](n2cnc3c(NC(c4ccccc4)c4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC(c2ccccc2)c2ccccc2)[N]1.CCS(N)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 510.58 | Num_heavy_atoms: | 36 |
| TPSA: | 165.48 | NumAromaticRings: | 4 |
Unique Aglycone
AD06225
Formula: C18H14N5
Smiles:
C1=Nc2c(ncnc2NC(c2ccccc2)c2ccccc2)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 300.35 | Num_heavy_atoms: | 23 |
| TPSA: | 64.27 | NumAromaticRings: | 3 |
AD10834
Formula: C2H7O2NS
Smiles:
CCS(N)(=O)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 109.15 | Num_heavy_atoms: | 6 |
| TPSA: | 60.16 | NumAromaticRings: | 0 |
