Glycoside
GD004665
Name:
NoneFormula:
C30H28O10N5FSmiles:
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](n2cc(-c3nc(-c4ccc(F)cc4)c(-c4ccncc4)o3)nn2)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.Fc1ccc(-c2nc(C3=C[N]N=N3)oc2-c2ccncc2)cc1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 9 |
| MolWt: | 637.58 | Num_heavy_atoms: | 46 |
| TPSA: | 184.06 | NumAromaticRings: | 4 |
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 |
AD04042
Formula: C16H9ON5F
Smiles:
Fc1ccc(-c2nc(C3=C[N]N=N3)oc2-c2ccncc2)cc1| HBA: | 6 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 306.28 | Num_heavy_atoms: | 23 |
| TPSA: | 77.74 | NumAromaticRings: | 3 |
