Glycoside
GD002415
Name:
NoneFormula:
C17H27O4N7SSmiles:
CCCNC(=O)NCCCSC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CCCNC(=O)NCCCSC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 9 |
| MolWt: | 425.52 | Num_heavy_atoms: | 29 |
| TPSA: | 160.44 | 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 |
AD02312
Formula: C8H18ON2S
Smiles:
CCCNC(=O)NCCCSC| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 190.31 | Num_heavy_atoms: | 12 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
