Glycoside
GD088804
Name:
NoneFormula:
C20H31O8N2Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@H]([NH3+])CCC(=O)OCc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
[NH3+]C(CCC(=O)OCc1ccccc1)C(=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 10 |
| MolWt: | 427.47 | Num_heavy_atoms: | 30 |
| TPSA: | 162.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD38855
Formula: C14H21O4N2
Smiles:
[NH3+]C(CCC(=O)OCc1ccccc1)C(=O)NCCO| HBA: | 6 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 8 |
| MolWt: | 281.33 | Num_heavy_atoms: | 20 |
| TPSA: | 103.27 | NumAromaticRings: | 1 |
