Glycoside
GD097425
Name:
NoneFormula:
C22H33O8N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2ccc3c(n2)CCN(C(=O)OC(C)(C)C)C3)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CC(C)(C)OC(=O)N1CCc2nc(C(=O)NCCO)ccc2C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 467.52 | Num_heavy_atoms: | 33 |
| TPSA: | 150.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD41432
Formula: C16H23O4N3
Smiles:
CC(C)(C)OC(=O)N1CCc2nc(C(=O)NCCO)ccc2C1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 321.38 | Num_heavy_atoms: | 23 |
| TPSA: | 91.76 | NumAromaticRings: | 1 |
