Glycoside
GD147677
Name:
3-amino-N-(5-amino-4-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-{[3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy}-3-hydroxycyclohexyl)-2-hydroxypropanimidic acidFormula:
C22H43O12N5Smiles:
CNC1C(O)C(OC2C(N=C(O)C(O)CN)CC(N)C(OC3OC(CN)C(O)C(O)C3O)C2O)OCC1(C)OAglycone:
NCC(O)C(O)=NC1CC(N)C(O)C(O)C1OSugarmoiety:
CNC1C(O)C(O)OCC1(C)O.NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 15 | FractionCSP3: | 0.95 |
| AlogP: | -6.68 | Num_rotatable_bonds: | 9 |
| MolWt: | 569.61 | Num_heavy_atoms: | 39 |
| TPSA: | 301.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD59133
Formula: C9H19O5N3
Smiles:
NCC(O)C(O)=NC1CC(N)C(O)C(O)C1O| HBA: | 8 | RingCount: | 1 |
| HBD: | 9 | FractionCSP3: | 0.89 |
| AlogP: | -3.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 249.27 | Num_heavy_atoms: | 17 |
| TPSA: | 165.55 | NumAromaticRings: | 0 |
