Glycoside
GD035018
Name:
NoneFormula:
C29H31O5N2ClSmiles:
CCOc1ccc(Cc2cc([C@@H]3O[C@H](C=NNCc4ccccc4)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1Aglycone:
C=NNCc1ccccc1.CCOc1ccc(Cc2ccccc2Cl)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 9 |
| MolWt: | 511.02 | Num_heavy_atoms: | 36 |
| TPSA: | 103.54 | NumAromaticRings: | 3 |
Unique Aglycone
AD00288
Formula: C16H15OCl
Smiles:
CCOc1ccc(Cc2ccccc2Cl)cc1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 246.74 | Num_heavy_atoms: | 17 |
| TPSA: | 9.23 | NumAromaticRings: | 2 |
AD22190
Formula: C8H10N2
Smiles:
C=NNCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 134.18 | Num_heavy_atoms: | 10 |
| TPSA: | 24.39 | NumAromaticRings: | 1 |
