Glycoside
GD019563
Name:
NoneFormula:
C19H24O4N6S2Smiles:
CN(C)C(=S)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.CN(C)C(O)=SSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 464.57 | Num_heavy_atoms: | 31 |
| TPSA: | 117.79 | 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 |
AD13645
Formula: C3H7ONS
Smiles:
CN(C)C(O)=S| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 105.16 | Num_heavy_atoms: | 6 |
| TPSA: | 23.47 | NumAromaticRings: | 0 |
