Glycoside
GD136222
Name:
2-[(4-amino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2,6-dihydroxycyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diolFormula:
C19H38O9N4Smiles:
CNC1C(O)C(OC2C(O)CC(N)C(OC3OC(CN)C(O)CC3N)C2O)OCC1(C)OAglycone:
NCC1OC(OC2C(N)CC(O)C(O)C2O)C(N)CC1OSugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 1.0 |
| AlogP: | -4.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 466.53 | Num_heavy_atoms: | 32 |
| TPSA: | 228.16 | NumAromaticRings: | 0 |
Unique Aglycone
AD55057
Formula: C12H25O6N3
Smiles:
NCC1OC(OC2C(N)CC(O)C(O)C2O)C(N)CC1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -4.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 307.35 | Num_heavy_atoms: | 21 |
| TPSA: | 177.44 | NumAromaticRings: | 0 |
