Glycoside
GD091782
Name:
NoneFormula:
C18H21O8N5Smiles:
CC(=O)OC[C@H]1O[C@@H](O)[C@H](n2cc(-c3cccnn3)nn2)[C@@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
C1=C(c2cccnn2)N=N[N]1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 435.39 | Num_heavy_atoms: | 31 |
| TPSA: | 164.85 | 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 |
AD26109
Formula: C6H4N5
Smiles:
C1=C(c2cccnn2)N=N[N]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 146.13 | Num_heavy_atoms: | 11 |
| TPSA: | 64.6 | NumAromaticRings: | 1 |
