Glycoside
GD099370
Name:
NoneFormula:
C20H21O8N5Smiles:
CC(=O)OC[C@H]1O[C@H](O)[C@H](n2cc(-c3ccc(C#N)nc3)nn2)[C@@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.N#Cc1ccc(C2=C[N]N=N2)cn1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 459.42 | Num_heavy_atoms: | 33 |
| TPSA: | 175.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD29328
Formula: C8H4N5
Smiles:
N#Cc1ccc(C2=C[N]N=N2)cn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.16 | Num_heavy_atoms: | 13 |
| TPSA: | 75.5 | NumAromaticRings: | 1 |
