Glycoside
GD014466
Name:
NoneFormula:
C17H11O3N2Cl3Smiles:
C[C@@H]1OC(n2c(Cl)c(C#N)c3cc(Cl)c(Cl)cc32)[C@H](O)[C@H]1OAglycone:
N#Cc1c(Cl)[nH]c2cc(Cl)c(Cl)cc12Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 361.61 | Num_heavy_atoms: | 22 |
| TPSA: | 78.41 | 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 |
