Glycoside
GD145841
Name:
DesmethylnovobiocinFormula:
C30H34O11N2Smiles:
CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(OC4OC(C)(C)C(O)C(OC(=N)O)C4O)c(C)c3oc2=O)ccc1OAglycone:
CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)ccc1OSugarmoiety:
CC1(C)OC(O)C(O)C(OC(=N)O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.37 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 598.61 | Num_heavy_atoms: | 43 |
| TPSA: | 212.0 | NumAromaticRings: | 3 |
Unique Aglycone
AD03234
Formula: C22H21O6N
Smiles:
CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.18 |
| AlogP: | 3.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 395.41 | Num_heavy_atoms: | 29 |
| TPSA: | 120.0 | NumAromaticRings: | 3 |
