Glycoside
GD082403
Name:
NoneFormula:
C18H33O8N2Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@H]([NH3+])C2CCC3(CC2)OCCO3)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
[NH3+]C(C(=O)NCCO)C1CCC2(CC1)OCCO2Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | -2.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 405.47 | Num_heavy_atoms: | 28 |
| TPSA: | 154.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD37031
Formula: C12H23O4N2
Smiles:
[NH3+]C(C(=O)NCCO)C1CCC2(CC1)OCCO2| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 259.33 | Num_heavy_atoms: | 18 |
| TPSA: | 95.43 | NumAromaticRings: | 0 |
