Glycoside
GD015437
Name:
NoneFormula:
C24H28O9N2SSmiles:
CC(=O)OCC1OC(n2c3c(cc(C#N)c2=S)CCCC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.N#Cc1cc2c([nH]c1=S)CCCC2Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.58 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 520.56 | Num_heavy_atoms: | 36 |
| TPSA: | 143.15 | 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 |
AD11218
Formula: C10H10N2S
Smiles:
N#Cc1cc2c([nH]c1=S)CCCC2| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 0 |
| MolWt: | 190.27 | Num_heavy_atoms: | 13 |
| TPSA: | 39.58 | NumAromaticRings: | 1 |
