Glycoside
GD020199
Name:
NoneFormula:
C29H31O5N4ClSmiles:
CCOc1cn(C[C@@H]2O[C@H](n3cc(Cc4ccc(C5CC5)cc4)c4c(Cl)cccc43)[C@H](O)[C@H](O)[C@H]2O)nn1Aglycone:
CCOc1cn(C)nn1.Clc1cccc2[nH]cc(Cc3ccc(C4CC4)cc3)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 539.03 | Num_heavy_atoms: | 38 |
| TPSA: | 114.79 | NumAromaticRings: | 4 |
Unique Aglycone
AD00150
Formula: C19H16NCl
Smiles:
Clc1cccc2[nH]cc(Cc3ccc(C4CC4)cc3)c12| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 5.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 281.79 | Num_heavy_atoms: | 20 |
| TPSA: | 15.79 | NumAromaticRings: | 3 |
AD13984
Formula: C5H9ON3
Smiles:
CCOc1cn(C)nn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 127.15 | Num_heavy_atoms: | 9 |
| TPSA: | 39.94 | NumAromaticRings: | 1 |
