Glycoside
GD003909
Name:
NoneFormula:
C17H29O4N8SSmiles:
C[S+](CC[C@H](N)C(=O)NCCN)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
C[S+](C)CCC(N)C(=O)NCCN.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.65 |
| AlogP: | -2.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 441.54 | Num_heavy_atoms: | 30 |
| TPSA: | 200.45 | 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 |
AD03479
Formula: C8H20ON3S
Smiles:
C[S+](C)CCC(N)C(=O)NCCN| HBA: | 4 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 206.33 | Num_heavy_atoms: | 13 |
| TPSA: | 81.14 | NumAromaticRings: | 0 |
