Glycoside
GD085196
Name:
NoneFormula:
C17H17O6N3Cl2Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cc(Cl)c(C#N)c(Cl)n2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
N#Cc1c(Cl)cc(C(=O)NCCO)nc1ClSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 406.22 | Num_heavy_atoms: | 26 |
| TPSA: | 144.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD38110
Formula: C11H7O2N3Cl2
Smiles:
N#Cc1c(Cl)cc(C(=O)NCCO)nc1Cl| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 260.08 | Num_heavy_atoms: | 16 |
| TPSA: | 86.01 | NumAromaticRings: | 1 |
