Glycoside
GD028143
Name:
NoneFormula:
C25H23O8N2SBrSmiles:
CC(=O)OC1COC(n2c(=S)n(-c3ccccc3)c(=O)c3cc(Br)ccc32)C(OC(C)=O)C1OC(C)=OAglycone:
O=c1c2cc(Br)ccc2[nH]c(=S)n1-c1ccccc1Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.32 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 591.44 | Num_heavy_atoms: | 37 |
| TPSA: | 115.06 | 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 |
