Glycoside
GD082697
Name:
NoneFormula:
C16H23O8N3SSmiles:
N#Cc1cc2c(nc1N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)CCCC2Aglycone:
COS(O)(O)O.N#Cc1cc2c(nc1N)CCCC2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 417.44 | Num_heavy_atoms: | 28 |
| TPSA: | 188.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD30249
Formula: C10H11N3
Smiles:
N#Cc1cc2c(nc1N)CCCC2| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 0 |
| MolWt: | 173.22 | Num_heavy_atoms: | 13 |
| TPSA: | 62.7 | NumAromaticRings: | 1 |
