Glycoside
GD053608
Name:
NoneFormula:
C13H22O6N3SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cnc(C[NH3+])s2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
[NH3+]Cc1ncc(C(=O)NCCO)s1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.69 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 348.4 | Num_heavy_atoms: | 23 |
| TPSA: | 148.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD27350
Formula: C7H12O2N3S
Smiles:
[NH3+]Cc1ncc(C(=O)NCCO)s1| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 202.26 | Num_heavy_atoms: | 13 |
| TPSA: | 89.86 | NumAromaticRings: | 1 |
