Glycoside
GD136874
Name:
2-[(4,6-diamino-3-{[6-amino-3-(aminomethyl)cyclohex-3-en-1-yl]oxy}-2-hydroxycyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diolFormula:
C20H39O6N5Smiles:
CNC1C(O)C(OC2C(N)CC(N)C(OC3CC(CN)=CCC3N)C2O)OCC1(C)OAglycone:
NCC1=CCC(N)C(OC2C(N)CC(N)C(O)C2O)C1Sugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.9 |
| AlogP: | -3.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 445.56 | Num_heavy_atoms: | 31 |
| TPSA: | 204.49 | NumAromaticRings: | 0 |
Unique Aglycone
AD55319
Formula: C13H26O3N4
Smiles:
NCC1=CCC(N)C(OC2C(N)CC(N)C(O)C2O)C1| HBA: | 7 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.85 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 286.38 | Num_heavy_atoms: | 20 |
| TPSA: | 153.77 | NumAromaticRings: | 0 |
