Glycoside
GD007834
Name:
NoneFormula:
C20H19O7N3SSmiles:
COc1ccc(-c2c(C#N)c(O)n(C3OC(CO)C(O)C(O)C3O)c(=S)c2C#N)cc1Aglycone:
COc1ccc(-c2c(C#N)c(O)[nH]c(=S)c2C#N)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 445.45 | Num_heavy_atoms: | 31 |
| TPSA: | 172.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD06338
Formula: C14H9O2N3S
Smiles:
COc1ccc(-c2c(C#N)c(O)[nH]c(=S)c2C#N)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 283.31 | Num_heavy_atoms: | 20 |
| TPSA: | 92.83 | NumAromaticRings: | 2 |
