Glycoside
GD020409
Name:
NoneFormula:
C20H25O10N2SBrSmiles:
CSc1nc(C)c(Br)c(=O)n1C1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.CSc1nc(C)c(Br)c(=O)[nH]1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 565.4 | Num_heavy_atoms: | 34 |
| TPSA: | 149.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD14090
Formula: C6H7ON2SBr
Smiles:
CSc1nc(C)c(Br)c(=O)[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 235.11 | Num_heavy_atoms: | 11 |
| TPSA: | 45.75 | NumAromaticRings: | 1 |
