Glycoside
GD092044
Name:
NoneFormula:
C21H35O7N2Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]([NH3+])Cc2ccc(OC(C)(C)C)cc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CC(C)(C)Oc1ccc(CC([NH3+])C(=O)NCCO)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 427.52 | Num_heavy_atoms: | 30 |
| TPSA: | 145.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD40177
Formula: C15H25O3N2
Smiles:
CC(C)(C)Oc1ccc(CC([NH3+])C(=O)NCCO)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 281.38 | Num_heavy_atoms: | 20 |
| TPSA: | 86.2 | NumAromaticRings: | 1 |
