Glycoside
GD004013
Name:
NoneFormula:
C18H29O3N7SSmiles:
CC(C)CC=NNc1nc(N)c2ncn([C@@H]3O[C@H](CSC(C)C)[C@H](O)[C@H]3O)c2n1Aglycone:
CC(C)CC=NNc1nc(N)c2c(n1)[N]C=N2.CSC(C)CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 423.54 | Num_heavy_atoms: | 29 |
| TPSA: | 143.7 | NumAromaticRings: | 2 |
Unique Aglycone
AD03564
Formula: C10H14N7
Smiles:
CC(C)CC=NNc1nc(N)c2c(n1)[N]C=N2| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 232.27 | Num_heavy_atoms: | 17 |
| TPSA: | 102.65 | NumAromaticRings: | 1 |
AD03565
Formula: C4H10S
Smiles:
CSC(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 90.19 | Num_heavy_atoms: | 5 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
