Glycoside
GD054015
Name:
NoneFormula:
C13H20O7N2SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2csc(CO)n2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1csc(CO)n1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 348.38 | Num_heavy_atoms: | 23 |
| TPSA: | 141.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD27530
Formula: C7H10O3N2S
Smiles:
O=C(NCCO)c1csc(CO)n1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 202.23 | Num_heavy_atoms: | 13 |
| TPSA: | 82.45 | NumAromaticRings: | 1 |
