Glycoside
GD012444
Name:
NoneFormula:
C16H19O7N3Smiles:
COC(=O)c1c(CC#N)ncn1[C@@H]1O[C@H](C)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(=O)C1=C(CC#N)N=C[N]1Sugarmoiety:
CC(=O)OC1C(C)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.56 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 365.34 | Num_heavy_atoms: | 26 |
| TPSA: | 129.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD09382
Formula: C7H6O2N3
Smiles:
COC(=O)C1=C(CC#N)N=C[N]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.14 | Num_heavy_atoms: | 12 |
| TPSA: | 76.55 | NumAromaticRings: | 0 |
