Glycoside
GD127561
Name:
N-{2-[(2,4-diamino-5-{[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-3,6-dihydroxycyclohexyl)oxy]-3,5-dihydroxy-5-methyloxan-4-yl}acetamideFormula:
C20H37O9N5Smiles:
CC(O)=NC1C(O)C(OC2C(N)C(O)C(N)C(OC3OC(CN)=CCC3N)C2O)OCC1(C)OAglycone:
NCC1=CCC(N)C(OC2C(N)C(O)C(N)C(O)C2O)O1Sugarmoiety:
CC(O)=NC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.85 |
| AlogP: | -4.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 491.54 | Num_heavy_atoms: | 34 |
| TPSA: | 254.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD49755
Formula: C12H24O5N4
Smiles:
NCC1=CCC(N)C(OC2C(N)C(O)C(N)C(O)C2O)O1| HBA: | 9 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.83 |
| AlogP: | -3.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 304.35 | Num_heavy_atoms: | 21 |
| TPSA: | 183.23 | NumAromaticRings: | 0 |
