Glycoside
GD008912
Name:
NoneFormula:
C33H32O10N2SSmiles:
COc1ccc(-c2cc(-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(-c2cc(-c3ccccc3)[nH]c(=S)c2C#N)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 4.69 | Num_rotatable_bonds: | 9 |
| MolWt: | 648.69 | Num_heavy_atoms: | 46 |
| TPSA: | 152.38 | 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 |
AD07058
Formula: C19H14ON2S
Smiles:
COc1ccc(-c2cc(-c3ccccc3)[nH]c(=S)c2C#N)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.05 |
| AlogP: | 4.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 318.4 | Num_heavy_atoms: | 23 |
| TPSA: | 48.81 | NumAromaticRings: | 3 |
