Glycoside
GD149361
Name:
2-(aminomethyl)-6-[(4,6-diamino-3-{[3,5-dihydroxy-6-(hydroxymethyl)-5-methyl-4-(methylamino)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,4,5-triolFormula:
C20H40O11N4Smiles:
CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3O)C2O)OC(CO)C1(C)OAglycone:
NC1CC(N)C(O)C(O)C1OSugarmoiety:
CNC1C(O)C(O)OC(CO)C1(C)O.NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 1.0 |
| AlogP: | -6.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 512.56 | Num_heavy_atoms: | 35 |
| TPSA: | 268.62 | 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 |
