Glycoside
GD089430
Name:
NoneFormula:
C16H24O6N6SSmiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NS(=O)(=O)[C@@H](C)CC)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCC(C)S(=O)(=O)Nc1ncnc2c1N=C[N]2.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 428.47 | Num_heavy_atoms: | 29 |
| TPSA: | 168.56 | 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 |
AD33604
Formula: C9H12O2N5S
Smiles:
CCC(C)S(=O)(=O)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 254.3 | Num_heavy_atoms: | 17 |
| TPSA: | 98.41 | NumAromaticRings: | 1 |
