Glycoside
GD114291
Name:
nanaomycin jFormula:
C27H40O14N2SSmiles:
CC(O)=NC(CSC12CC(CC(=O)O)OC(C)C1(O)C(=O)C1C(O)CCCC1C2=O)C(O)=NC1C(O)OC(CO)C(O)C1OAglycone:
CC(O)=NC(CSC12CC(CC(=O)O)OC(C)C1(O)C(=O)C1C(O)CCCC1C2=O)C(=N)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.81 |
| AlogP: | -2.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 648.68 | Num_heavy_atoms: | 44 |
| TPSA: | 276.46 | NumAromaticRings: | 0 |
Unique Aglycone
AD44962
Formula: C21H30O9N2S
Smiles:
CC(O)=NC(CSC12CC(CC(=O)O)OC(C)C1(O)C(=O)C1C(O)CCCC1C2=O)C(=N)O| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 486.54 | Num_heavy_atoms: | 33 |
| TPSA: | 197.8 | NumAromaticRings: | 0 |
