Glycoside
GD006412
Name:
NoneFormula:
C17H10O3N5Cl3Smiles:
N#Cc1c(Cl)n([C@@H]2O[C@H](CN=[N+]=[N-])[C@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12Aglycone:
N#Cc1c(Cl)[nH]c2cc(Cl)c(Cl)cc12Sugarmoiety:
[N-]=[N+]=NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 3.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 402.63 | Num_heavy_atoms: | 25 |
| TPSA: | 127.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD05315
Formula: C12H3N2Cl3
Smiles:
N#Cc1c(Cl)[nH]c2cc(Cl)c(Cl)cc12| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 4.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 245.5 | Num_heavy_atoms: | 14 |
| TPSA: | 39.58 | NumAromaticRings: | 2 |
