Glycoside
GD075817
Name:
NoneFormula:
C18H28O6N3Smiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C1CC[NH+](Cc2ccncc2)CC1Aglycone:
NC(=O)C1CC[NH+](Cc2ccncc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -3.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 382.44 | Num_heavy_atoms: | 27 |
| TPSA: | 136.58 | NumAromaticRings: | 1 |
Unique Aglycone
AD35112
Formula: C12H18ON3
Smiles:
NC(=O)C1CC[NH+](Cc2ccncc2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 220.3 | Num_heavy_atoms: | 16 |
| TPSA: | 60.42 | NumAromaticRings: | 1 |
