Glycoside
GD129876
Name:
Desmethyl-5-HydroxynovobiocinFormula:
C30H34O12N2Smiles:
CC(C)=CCc1cc(C(O)=Nc2c(O)c3ccc(OC4OC(C)(C)C(O)C(OC(=N)O)C4O)c(C)c3oc2=O)cc(O)c1OAglycone:
CC(C)=CCc1cc(C(O)=Nc2c(O)c3ccc(O)c(C)c3oc2=O)cc(O)c1OSugarmoiety:
CC1(C)OC(O)C(O)C(OC(=N)O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.37 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 614.6 | Num_heavy_atoms: | 44 |
| TPSA: | 235.72 | 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 |
