Glycoside
GD127965
Name:
GlucomatronalinFormula:
C14H19O11NS2Smiles:
O=S(=O)(O)ON=C(Cc1ccc(O)c(O)c1)SC1OC(CO)C(O)C(O)C1OAglycone:
O=S(=O)(O)ON=C(S)Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 441.44 | Num_heavy_atoms: | 28 |
| TPSA: | 206.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD51836
Formula: C8H9O6NS2
Smiles:
O=S(=O)(O)ON=C(S)Cc1ccc(O)c(O)c1| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 279.29 | Num_heavy_atoms: | 17 |
| TPSA: | 116.42 | NumAromaticRings: | 1 |
