Glycoside
GD008361
Name:
NoneFormula:
C27H29O11N3SSmiles:
COc1ccc(-c2nc(SC)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=O)c2C#N)cc1Aglycone:
COC(C)=O.COc1ccc(-c2nc(SC)[nH]c(=O)c2C#N)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.44 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 9 |
| MolWt: | 603.61 | Num_heavy_atoms: | 42 |
| TPSA: | 182.34 | NumAromaticRings: | 2 |
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 |
AD06683
Formula: C13H11O2N3S
Smiles:
COc1ccc(-c2nc(SC)[nH]c(=O)c2C#N)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 273.32 | Num_heavy_atoms: | 19 |
| TPSA: | 78.77 | NumAromaticRings: | 2 |
