Glycoside
GD135545
Name:
2-(1-aminoethyl)-6-[(2,4-diamino-5-{[3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy}-3,6-dihydroxycyclohexyl)oxy]oxane-3,4,5-triolFormula:
C20H40O11N4Smiles:
CNC1C(O)C(OC2C(N)C(O)C(N)C(OC3OC(C(C)N)C(O)C(O)C3O)C2O)OCC1(C)OAglycone:
NC1C(O)C(N)C(O)C(O)C1OSugarmoiety:
CC(N)C1OC(O)C(O)C(O)C1O.CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 1.0 |
| AlogP: | -6.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 512.56 | Num_heavy_atoms: | 35 |
| TPSA: | 268.62 | NumAromaticRings: | 0 |
Unique Aglycone
AD44884
Formula: C6H14O4N2
Smiles:
NC1C(O)C(N)C(O)C(O)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -3.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 178.19 | Num_heavy_atoms: | 12 |
| TPSA: | 132.96 | NumAromaticRings: | 0 |
