Glycoside
GD005117
Name:
NoneFormula:
C10H11O5N3Smiles:
C[C@@H]1O[C@H](n2cc(C#N)c(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
N#Cc1c[nH]c(=O)[nH]c1=OSugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 253.21 | Num_heavy_atoms: | 18 |
| TPSA: | 128.34 | NumAromaticRings: | 1 |
Unique Aglycone
AD04378
Formula: C5H3O2N3
Smiles:
N#Cc1c[nH]c(=O)[nH]c1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 0 |
| MolWt: | 137.1 | Num_heavy_atoms: | 10 |
| TPSA: | 89.51 | NumAromaticRings: | 1 |
