Glycoside
GD151317
Name:
6-{4-[(3-{2-[4-(3-amino-3-carboxypropoxy)phenyl]-2-formamidoacetamido}-3-hydroxy-2-oxoazetidin-1-yl)(carboxy)methyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C30H34O16N4Smiles:
NC(CCOc1ccc(C(N=CO)C(O)=NC2(O)CN(C(C(=O)O)c3ccc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3)C2=O)cc1)C(=O)OAglycone:
NC(CCOc1ccc(C(N=CO)C(O)=NC2(O)CN(C(C(=O)O)c3ccc(O)cc3)C2=O)cc1)C(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.4 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 15 |
| MolWt: | 706.61 | Num_heavy_atoms: | 50 |
| TPSA: | 332.02 | NumAromaticRings: | 2 |
Unique Aglycone
AD60361
Formula: C24H26O10N4
Smiles:
NC(CCOc1ccc(C(N=CO)C(O)=NC2(O)CN(C(C(=O)O)c3ccc(O)cc3)C2=O)cc1)C(=O)O| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.29 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 12 |
| MolWt: | 530.49 | Num_heavy_atoms: | 38 |
| TPSA: | 235.8 | NumAromaticRings: | 2 |
