Glycoside
GD138448
Name:
Aminoglycoside 66-40-CFormula:
C38H64O14N8Smiles:
CNC1C(O)C(OC2C(N)CC3N=CC4=CCC(N)C(O4)OC4C(CC(N)C(OC5OCC(C)(O)C(NC)C5O)C4O)N=CC4=CCC(N)C(O4)OC3C2O)OCC1(C)OAglycone:
NC1CC=C2C=NC3CC(N)C(O)C(O)C3OC3OC(=CCC3N)C=NC3CC(N)C(O)C(O)C3OC1O2Sugarmoiety:
CNC1C(O)C(O)OCC1(C)O.CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 7 |
| HBD: | 16 | FractionCSP3: | 0.84 |
| AlogP: | -5.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 856.97 | Num_heavy_atoms: | 60 |
| TPSA: | 348.08 | NumAromaticRings: | 0 |
Unique Aglycone
AD55882
Formula: C24H38O8N6
Smiles:
NC1CC=C2C=NC3CC(N)C(O)C(O)C3OC3OC(=CCC3N)C=NC3CC(N)C(O)C(O)C3OC1O2| HBA: | 14 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.75 |
| AlogP: | -3.53 | Num_rotatable_bonds: | 0 |
| MolWt: | 538.6 | Num_heavy_atoms: | 38 |
| TPSA: | 246.64 | NumAromaticRings: | 0 |
