Glycoside
GD023742
Name:
NoneFormula:
C18H28O5N6SSmiles:
CC(C)(C)OC(=O)NCCCSC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CSCCCNC(=O)OC(C)(C)C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 7 |
| MolWt: | 440.53 | Num_heavy_atoms: | 30 |
| TPSA: | 157.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD15941
Formula: C9H19O2NS
Smiles:
CSCCCNC(=O)OC(C)(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 205.32 | Num_heavy_atoms: | 13 |
| TPSA: | 38.33 | NumAromaticRings: | 0 |
