Glycoside
GD137980
Name:
4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-5-methyloxane-3,5-diolFormula:
C18H35O7N5Smiles:
CC1(O)COC(OC2C(N)CC(N)C(OC3OC(CN)=CCC3N)C2O)C(O)C1NAglycone:
NCC1=CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1Sugarmoiety:
CC1(O)COC(O)C(O)C1NOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.89 |
| AlogP: | -4.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 433.51 | Num_heavy_atoms: | 30 |
| TPSA: | 227.71 | NumAromaticRings: | 0 |
Unique Aglycone
AD02378
Formula: C12H24O4N4
Smiles:
NCC1=CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.83 |
| AlogP: | -2.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 288.35 | Num_heavy_atoms: | 20 |
| TPSA: | 163.0 | NumAromaticRings: | 0 |
