Glycoside
GD102902
Name:
NoneFormula:
C21H26O4N8SSmiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=S)Nc4ccc(N(C)C)cc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.CN(C)c1ccc(NC(=S)Nc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 6 |
| MolWt: | 486.56 | Num_heavy_atoms: | 34 |
| TPSA: | 149.69 | NumAromaticRings: | 3 |
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 |
AD43559
Formula: C14H14N7S
Smiles:
CN(C)c1ccc(NC(=S)Nc2ncnc3c2N=C[N]3)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 312.38 | Num_heavy_atoms: | 22 |
| TPSA: | 79.54 | NumAromaticRings: | 2 |
