Glycoside
GD016505
Name:
NoneFormula:
C35H34O11N2SSmiles:
COc1ccc(-c2c(C(C)=O)c(-c3ccccc3)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)c2C#N)cc1Aglycone:
COC(C)=O.COc1ccc(-c2c(C(C)=O)c(-c3ccccc3)[nH]c(=S)c2C#N)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.34 |
| AlogP: | 4.89 | Num_rotatable_bonds: | 10 |
| MolWt: | 690.73 | Num_heavy_atoms: | 49 |
| TPSA: | 169.45 | NumAromaticRings: | 3 |
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 |
AD03044
Formula: C21H16O2N2S
Smiles:
COc1ccc(-c2c(C(C)=O)c(-c3ccccc3)[nH]c(=S)c2C#N)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 5.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.44 | Num_heavy_atoms: | 26 |
| TPSA: | 65.88 | NumAromaticRings: | 3 |
