Glycoside
GD155340
Name:
5-HydroxynovobiocinFormula:
C31H36O12N2Smiles:
COC1C(OC(=N)O)C(O)C(Oc2ccc3c(O)c(N=C(O)c4cc(O)c(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)CAglycone:
CC(C)=CCc1cc(C(O)=Nc2c(O)c3ccc(O)c(C)c3oc2=O)cc(O)c1OSugarmoiety:
COC1C(OC(=N)O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | 4.13 | Num_rotatable_bonds: | 8 |
| MolWt: | 628.63 | Num_heavy_atoms: | 45 |
| TPSA: | 224.72 | NumAromaticRings: | 3 |
Unique Aglycone
AD52616
Formula: C22H21O7N
Smiles:
CC(C)=CCc1cc(C(O)=Nc2c(O)c3ccc(O)c(C)c3oc2=O)cc(O)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.18 |
| AlogP: | 4.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 411.41 | Num_heavy_atoms: | 30 |
| TPSA: | 143.72 | NumAromaticRings: | 3 |
