Glycoside
GD100395
Name:
NoneFormula:
C25H34O6N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)C1C[NH+](Cc2ccccn2)CC1c1ccccc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 472.56 | Num_heavy_atoms: | 34 |
| TPSA: | 125.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD42427
Formula: C19H24O2N3
Smiles:
O=C(NCCO)C1C[NH+](Cc2ccccn2)CC1c1ccccc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 326.42 | Num_heavy_atoms: | 24 |
| TPSA: | 66.66 | NumAromaticRings: | 2 |
