Glycoside
GD013128
Name:
BLUENSOMYCINFormula:
C21H39O14N5Smiles:
CN[C@@H]1[C@H](O[C@@H]2[C@H](O[C@@H]3[C@H](NC(=N)N)[C@H](O)[C@H](OC(N)=O)[C@H](O)[C@H]3O)O[C@H](C)[C@@]2(O)CO)O[C@H](CO)[C@H](O)[C@H]1OAglycone:
N=C(N)NC1C(O)C(O)C(O)C(OC(N)=O)C1OSugarmoiety:
CNC1C(OC2C(O)OC(C)C2(O)CO)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 15 | FractionCSP3: | 0.9 |
| AlogP: | -7.34 | Num_rotatable_bonds: | 9 |
| MolWt: | 585.56 | Num_heavy_atoms: | 40 |
| TPSA: | 325.01 | NumAromaticRings: | 0 |
Unique Aglycone
AD09838
Formula: C8H16O6N4
Smiles:
N=C(N)NC1C(O)C(O)C(O)C(OC(N)=O)C1O| HBA: | 10 | RingCount: | 1 |
| HBD: | 10 | FractionCSP3: | 0.75 |
| AlogP: | -4.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 264.24 | Num_heavy_atoms: | 18 |
| TPSA: | 195.14 | NumAromaticRings: | 0 |
