Glycoside
GD071147
Name:
NoneFormula:
C17H23O8N2Smiles:
O=C(O)[C@H](Cc1c[nH]c2ccc(O)cc12)[NH2+]C[C@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1OAglycone:
C[NH2+]C(Cc1c[nH]c2ccc(O)cc12)C(=O)OSugarmoiety:
OC1COC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.47 |
| AlogP: | -2.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 383.38 | Num_heavy_atoms: | 27 |
| TPSA: | 180.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD33558
Formula: C12H15O3N2
Smiles:
C[NH2+]C(Cc1c[nH]c2ccc(O)cc12)C(=O)O| HBA: | 5 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 235.26 | Num_heavy_atoms: | 17 |
| TPSA: | 89.93 | NumAromaticRings: | 2 |
