Glycoside
GD111992
Name:
NoneFormula:
C36H43O9N2Smiles:
Cc1c(-c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2)n(Cc2ccc(OCC[NH+]3CCCCCC3)cc2)c2ccc(O)cc12Aglycone:
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCC[NH+]3CCCCCC3)cc2)c2ccc(O)cc12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 10 |
| MolWt: | 647.75 | Num_heavy_atoms: | 47 |
| TPSA: | 155.28 | NumAromaticRings: | 4 |
Unique Aglycone
AD44745
Formula: C30H35O3N2
Smiles:
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCC[NH+]3CCCCCC3)cc2)c2ccc(O)cc12| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 4.91 | Num_rotatable_bonds: | 7 |
| MolWt: | 471.62 | Num_heavy_atoms: | 35 |
| TPSA: | 59.06 | NumAromaticRings: | 4 |
