Glycoside
GD110644
Name:
NoneFormula:
C27H26O7N2SSmiles:
COc1ccc(-c2c(C(C)=O)c(-c3ccccc3)n([C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c(=S)c2C#N)cc1Aglycone:
COc1ccc(-c2c(C(C)=O)c(-c3ccccc3)[nH]c(=S)c2C#N)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 522.58 | Num_heavy_atoms: | 37 |
| TPSA: | 145.17 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
