Glycoside
GD003336
Name:
NoneFormula:
C18H19O8N3Smiles:
COc1ccc(-c2[nH]c(=O)n(C3OC(CO)C(O)C(O)C3O)c(=O)c2C#N)cc1Aglycone:
COc1ccc(-c2[nH]c(=O)[nH]c(=O)c2C#N)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 405.36 | Num_heavy_atoms: | 29 |
| TPSA: | 178.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD03038
Formula: C12H9O3N3
Smiles:
COc1ccc(-c2[nH]c(=O)[nH]c(=O)c2C#N)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 2 |
| MolWt: | 243.22 | Num_heavy_atoms: | 18 |
| TPSA: | 98.74 | NumAromaticRings: | 2 |
