Glycoside
GD146092
Name:
5-HydroxyglucobrassicinFormula:
C16H20O10N2S2Smiles:
O=S(=O)(O)ON=C(Cc1c[nH]c2ccc(O)cc12)SC1OC(CO)C(O)C(O)C1OAglycone:
O=S(=O)(O)ON=C(S)Cc1c[nH]c2ccc(O)cc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 464.47 | Num_heavy_atoms: | 30 |
| TPSA: | 202.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD58604
Formula: C10H10O5N2S2
Smiles:
O=S(=O)(O)ON=C(S)Cc1c[nH]c2ccc(O)cc12| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.1 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 302.33 | Num_heavy_atoms: | 19 |
| TPSA: | 111.98 | NumAromaticRings: | 2 |
