Glycoside
GD149946
Name:
[3,4,5-tris(acetyloxy)-6-[(3-imino-1,4-dioxo-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]oxan-2-yl]methyl acetateFormula:
C24H25O11NSSmiles:
CC(=O)OCC1OC(SC2C(=N)C(=O)c3ccccc3C2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.N=C1C(=O)c2ccccc2C(=O)C1SSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 535.53 | Num_heavy_atoms: | 37 |
| TPSA: | 172.42 | 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 |
AD59929
Formula: C10H7O2NS
Smiles:
N=C1C(=O)c2ccccc2C(=O)C1S| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 0 |
| MolWt: | 205.24 | Num_heavy_atoms: | 14 |
| TPSA: | 57.99 | NumAromaticRings: | 1 |
