Glycoside
GD020005
Name:
NoneFormula:
C20H19O6N2SBrSmiles:
O=c1c2cc(Br)ccc2n(C2OC(CO)C(O)C(O)C2O)c(=S)n1-c1ccccc1Aglycone:
O=c1c2cc(Br)ccc2[nH]c(=S)n1-c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 495.35 | Num_heavy_atoms: | 30 |
| TPSA: | 117.08 | NumAromaticRings: | 3 |
Unique Aglycone
AD09359
Formula: C14H9ON2SBr
Smiles:
O=c1c2cc(Br)ccc2[nH]c(=S)n1-c1ccccc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 333.21 | Num_heavy_atoms: | 19 |
| TPSA: | 37.79 | NumAromaticRings: | 3 |
