Glycoside
GD021437
Name:
NoneFormula:
C34H33O10N5Smiles:
CC(=O)OC[C@@H]1O[C@H](n2cc(Cn3cc(C=C4C(=O)Nc5ccccc54)c4ccccc43)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.O=C1Nc2ccccc2C1=Cc1cn(CC2=C[N]N=N2)c2ccccc12Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.32 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 671.66 | Num_heavy_atoms: | 49 |
| TPSA: | 179.17 | 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 |
AD14664
Formula: C20H14ON5
Smiles:
O=C1Nc2ccccc2C1=Cc1cn(CC2=C[N]N=N2)c2ccccc12| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.05 |
| AlogP: | 3.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 340.37 | Num_heavy_atoms: | 26 |
| TPSA: | 72.85 | NumAromaticRings: | 3 |
