Glycoside
GD082469
Name:
NoneFormula:
C20H30O7N3Smiles:
C[C@@H]([NH3+])[C@H]1CC[C@@H](C(=O)N=c2ccn(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc2)CC1Aglycone:
CC([NH3+])C1CCC(C(=O)N=c2cc[nH]cc2)CC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | -2.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 424.47 | Num_heavy_atoms: | 30 |
| TPSA: | 177.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD37055
Formula: C14H22ON3
Smiles:
CC([NH3+])C1CCC(C(=O)N=c2cc[nH]cc2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 248.35 | Num_heavy_atoms: | 18 |
| TPSA: | 72.86 | NumAromaticRings: | 1 |
