Glycoside
GD099057
Name:
NoneFormula:
C20H33O4N8SSmiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=S)NCCC[NH+](CC)CC)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.CC[NH+](CC)CCCNC(=S)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -1.82 | Num_rotatable_bonds: | 10 |
| MolWt: | 481.6 | Num_heavy_atoms: | 33 |
| TPSA: | 150.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD40200
Formula: C13H21N7S
Smiles:
CC[NH+](CC)CCCNC(=S)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 307.43 | Num_heavy_atoms: | 21 |
| TPSA: | 80.74 | NumAromaticRings: | 1 |
