Glycoside
GD053965
Name:
NoneFormula:
C13H20O6N2SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)Cc2cscn2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(Cc1cscn1)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 332.38 | Num_heavy_atoms: | 22 |
| TPSA: | 121.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD27496
Formula: C7H10O2N2S
Smiles:
O=C(Cc1cscn1)NCCO| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 186.24 | Num_heavy_atoms: | 12 |
| TPSA: | 62.22 | NumAromaticRings: | 1 |
