Glycoside
GD013651
Name:
NoneFormula:
C18H22O5N6SSmiles:
CNC(=O)O[C@@H]1O[C@H](n2cnc3c(N[C@@H]4C[C@@H]5C[C@H]4C4SC45)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CC3CC2C2SC32)[N]1.CNC(=O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 434.48 | Num_heavy_atoms: | 30 |
| TPSA: | 143.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD00805
Formula: C12H12N5S
Smiles:
C1=Nc2c(ncnc2NC2CC3CC2C2SC32)[N]1| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 2 |
| MolWt: | 258.33 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD04971
Formula: C2H5O2N
Smiles:
CNC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 0 |
| MolWt: | 75.07 | Num_heavy_atoms: | 5 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
