Glycoside
GD151027
Name:
4-hydroxy-2-methyl-5-{[2,4,6-trihydroxy-3,5-bis(methylamino)cyclohexyl]oxy}oxolane-3-carboxylic acidFormula:
C14H26O8N2Smiles:
CNC1C(O)C(NC)C(O)C(OC2OC(C)C(C(=O)O)C2O)C1OAglycone:
CNC1C(O)C(O)C(O)C(NC)C1OSugarmoiety:
CC1OC(O)C(O)C1C(=O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | -3.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 350.37 | Num_heavy_atoms: | 24 |
| TPSA: | 160.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD60273
Formula: C8H18O4N2
Smiles:
CNC1C(O)C(O)C(O)C(NC)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -3.38 | Num_rotatable_bonds: | 2 |
| MolWt: | 206.24 | Num_heavy_atoms: | 14 |
| TPSA: | 104.98 | NumAromaticRings: | 0 |
