Glycoside
GD037311
Name:
NoneFormula:
C16H23O8N7SSmiles:
CC=Cc1nc(N)c2ncn([C@@H]3O[C@H](COS(=O)(=O)NC(=O)[C@H](N)CO)[C@H](O)[C@H]3O)c2n1Aglycone:
CC=Cc1nc(N)c2c(n1)[N]C=N2.COS(=O)(=O)NC(=O)C(N)COSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -3.24 | Num_rotatable_bonds: | 8 |
| MolWt: | 473.47 | Num_heavy_atoms: | 32 |
| TPSA: | 238.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD05797
Formula: C4H10O5N2S
Smiles:
COS(=O)(=O)NC(=O)C(N)CO| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -2.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 198.2 | Num_heavy_atoms: | 12 |
| TPSA: | 118.72 | NumAromaticRings: | 0 |
AD23514
Formula: C8H8N5
Smiles:
CC=Cc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 174.19 | Num_heavy_atoms: | 13 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
