Glycoside
GD047105
Name:
NoneFormula:
C11H18O6N2SSmiles:
CCS[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)n1ccc(=O)[nH]c1=OAglycone:
CCSCn1ccc(=O)[nH]c1=OSugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -2.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 306.34 | Num_heavy_atoms: | 20 |
| TPSA: | 135.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD25443
Formula: C7H10O2N2S
Smiles:
CCSCn1ccc(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 186.24 | Num_heavy_atoms: | 12 |
| TPSA: | 54.86 | NumAromaticRings: | 1 |
