Glycoside
GD139460
Name:
5-amino-6-[(4,6-diamino-3-{[3,5-dihydroxy-4-(methylamino)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-2-(1-hydroxyethyl)oxane-3,4-diolFormula:
C19H38O10N4Smiles:
CNC1C(O)COC(OC2C(N)CC(N)C(OC3OC(C(C)O)C(O)C(O)C3N)C2O)C1OAglycone:
NC1CC(N)C(O)C(O)C1OSugarmoiety:
CC(O)C1OC(O)C(N)C(O)C1O.CNC1C(O)COC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 1.0 |
| AlogP: | -6.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 482.53 | Num_heavy_atoms: | 33 |
| TPSA: | 248.39 | NumAromaticRings: | 0 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
