Glycoside
GD126665
Name:
2-[(6-amino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxy-4-(methylamino)cyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C19H37O12N3Smiles:
CNC1CC(N)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1OAglycone:
CNC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 1.0 |
| AlogP: | -7.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 499.51 | Num_heavy_atoms: | 34 |
| TPSA: | 262.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD51267
Formula: C7H16O3N2
Smiles:
CNC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -2.61 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.22 | Num_heavy_atoms: | 12 |
| TPSA: | 98.74 | NumAromaticRings: | 0 |
