Glycoside
GD103461
Name:
NoneFormula:
C21H31O5N4SSmiles:
OC[C@@H]1O[C@@H](Sc2ccc(Nc3cnn(CC[NH+]4CCCC4)c3)cc2)[C@H](O)[C@@H](O)[C@H]1OAglycone:
Sc1ccc(Nc2cnn(CC[NH+]3CCCC3)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 451.57 | Num_heavy_atoms: | 31 |
| TPSA: | 124.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD43813
Formula: C15H21N4S
Smiles:
Sc1ccc(Nc2cnn(CC[NH+]3CCCC3)c2)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 289.43 | Num_heavy_atoms: | 20 |
| TPSA: | 34.29 | NumAromaticRings: | 2 |
