Glycoside
GD125227
Name:
2-{[4,6-diamino-3-({3-amino-6-[(methylamino)methyl]oxan-2-yl}oxy)-2-iodocyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diolFormula:
C20H40O6N5ISmiles:
CNCC1CCC(N)C(OC2C(N)CC(N)C(OC3OCC(C)(O)C(NC)C3O)C2I)O1Aglycone:
CNCC1CCC(N)C(OC2C(N)CC(N)C(O)C2I)O1Sugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -2.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 573.47 | Num_heavy_atoms: | 32 |
| TPSA: | 179.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD50641
Formula: C13H27O3N4I
Smiles:
CNCC1CCC(N)C(OC2C(N)CC(N)C(O)C2I)O1| HBA: | 7 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 414.29 | Num_heavy_atoms: | 21 |
| TPSA: | 128.78 | NumAromaticRings: | 0 |
