Glycoside
GD144411
Name:
BluensomycinFormula:
C21H39O14N5Smiles:
CNC1C(OC2C(OC3C(O)C(O)C(OC(=N)O)C(O)C3NC(=N)N)OC(C)C2(O)CO)OC(CO)C(O)C1OAglycone:
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: | -6.92 | Num_rotatable_bonds: | 9 |
| MolWt: | 585.56 | Num_heavy_atoms: | 40 |
| TPSA: | 326.0 | NumAromaticRings: | 0 |
Unique Aglycone
AD58039
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: | -3.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 264.24 | Num_heavy_atoms: | 18 |
| TPSA: | 196.13 | NumAromaticRings: | 0 |
