Glycoside
GD124549
Name:
({3,4,6-trihydroxy-5-[(1-hydroxy-2-iodoethyl)amino]oxan-2-yl}methoxy)phosphonic acidFormula:
C8H17O9NPISmiles:
O=P(O)(O)OCC1OC(O)C(NC(O)CI)C(O)C1OAglycone:
COP(=O)(O)O.NC(O)CISugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 429.1 | Num_heavy_atoms: | 20 |
| TPSA: | 168.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD50323
Formula: C2H6ONI
Smiles:
NC(O)CI| HBA: | 2 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 186.98 | Num_heavy_atoms: | 5 |
| TPSA: | 46.25 | NumAromaticRings: | 0 |
