Glycoside
GD092043
Name:
NoneFormula:
C21H33O8N2Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]([NH3+])Cc2ccc3c(c2)COC(C)(C)O3)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CC1(C)OCc2cc(CC([NH3+])C(=O)NCCO)ccc2O1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 441.5 | Num_heavy_atoms: | 31 |
| TPSA: | 154.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD40176
Formula: C15H23O4N2
Smiles:
CC1(C)OCc2cc(CC([NH3+])C(=O)NCCO)ccc2O1| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 295.36 | Num_heavy_atoms: | 21 |
| TPSA: | 95.43 | NumAromaticRings: | 1 |
