Glycoside
GD063212
Name:
NoneFormula:
C17H28O5N3Smiles:
OC[C@H]1O[C@H](O)[C@H](NC2CC[NH+](Cc3ccncc3)CC2)[C@@H](O)[C@@H]1OAglycone:
NC1CC[NH+](Cc2ccncc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -2.98 | Num_rotatable_bonds: | 5 |
| MolWt: | 354.43 | Num_heavy_atoms: | 25 |
| TPSA: | 119.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD30469
Formula: C11H18N3
Smiles:
NC1CC[NH+](Cc2ccncc2)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 192.29 | Num_heavy_atoms: | 14 |
| TPSA: | 43.35 | NumAromaticRings: | 1 |
