Glycoside
GD127388
Name:
2-[(4,6-diamino-3-{[6-(aminomethyl)-3-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diolFormula:
C19H38O8N4Smiles:
CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CN)CCC3O)C2O)OCC1(C)OAglycone:
NCC1CCC(O)C(OC2C(N)CC(N)C(O)C2O)O1Sugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -3.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.53 | Num_heavy_atoms: | 31 |
| TPSA: | 207.93 | NumAromaticRings: | 0 |
Unique Aglycone
AD50963
Formula: C12H25O5N3
Smiles:
NCC1CCC(O)C(OC2C(N)CC(N)C(O)C2O)O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -3.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 291.35 | Num_heavy_atoms: | 20 |
| TPSA: | 157.21 | NumAromaticRings: | 0 |
