Glycoside
GD129570
Name:
BoholmycinFormula:
C27H48O21N4Smiles:
CNC1C(OC2C(O)C(OC3OC(CO)C(O)C(N)C3O)C(OC(=N)O)C(O)C2OC(=N)O)OCC(OC2OC(C(O)CO)C(O)C(O)C2O)C1OAglycone:
N=C(O)OC1C(O)C(O)C(O)C(OC(=N)O)C1OSugarmoiety:
CNC1C(O)OCC(OC2OC(C(O)CO)C(O)C(O)C2O)C1O.NC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 4 |
| HBD: | 18 | FractionCSP3: | 0.93 |
| AlogP: | -9.13 | Num_rotatable_bonds: | 12 |
| MolWt: | 764.69 | Num_heavy_atoms: | 52 |
| TPSA: | 422.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD50747
Formula: C8H14O8N2
Smiles:
N=C(O)OC1C(O)C(O)C(O)C(OC(=N)O)C1O| HBA: | 10 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.75 |
| AlogP: | -2.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 266.21 | Num_heavy_atoms: | 18 |
| TPSA: | 187.54 | NumAromaticRings: | 0 |
