Glycoside
GD035581
Name:
NoneFormula:
C34H32O10N5FSmiles:
CC(=O)OC[C@@H]1O[C@H](n2cc(Cn3cc(C=C4C(=O)Nc5ccc(F)cc54)c4ccccc43)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.O=C1Nc2ccc(F)cc2C1=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: | 3.17 | Num_rotatable_bonds: | 9 |
| MolWt: | 689.65 | Num_heavy_atoms: | 50 |
| 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 |
AD22506
Formula: C20H13ON5F
Smiles:
O=C1Nc2ccc(F)cc2C1=Cc1cn(CC2=C[N]N=N2)c2ccccc12| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.05 |
| AlogP: | 4.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 358.36 | Num_heavy_atoms: | 27 |
| TPSA: | 72.85 | NumAromaticRings: | 3 |
