Glycoside
GD092033
Name:
NoneFormula:
C22H35O7N2Smiles:
COc1ccc(CC2(C(=O)NCCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)CC[NH2+]CC2)cc1Aglycone:
COc1ccc(CC2(C(=O)NCCO)CC[NH2+]CC2)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.68 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 8 |
| MolWt: | 439.53 | Num_heavy_atoms: | 31 |
| TPSA: | 134.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD40170
Formula: C16H25O3N2
Smiles:
COc1ccc(CC2(C(=O)NCCO)CC[NH2+]CC2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 293.39 | Num_heavy_atoms: | 21 |
| TPSA: | 75.17 | NumAromaticRings: | 1 |
