Glycoside
GD015992
Name:
NoneFormula:
C27H28O10N2SSmiles:
CC(=O)OCC1OC(n2c3c(c(-c4ccco4)c(C#N)c2=S)CCC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.N#Cc1c(-c2ccco2)c2c([nH]c1=S)CCC2Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.48 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 572.59 | Num_heavy_atoms: | 40 |
| TPSA: | 156.29 | 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 |
AD11565
Formula: C13H10ON2S
Smiles:
N#Cc1c(-c2ccco2)c2c([nH]c1=S)CCC2| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 242.3 | Num_heavy_atoms: | 17 |
| TPSA: | 52.72 | NumAromaticRings: | 2 |
