Glycoside
GD132888
Name:
4-amino-N-(5-amino-2-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxycyclohexyl)-2-hydroxybutanamideFormula:
C22H43O13N5Smiles:
NCCC(O)C(O)=NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1OAglycone:
NCCC(O)C(O)=NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1O.NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 17 | FractionCSP3: | 0.95 |
| AlogP: | -7.58 | Num_rotatable_bonds: | 10 |
| MolWt: | 585.61 | Num_heavy_atoms: | 40 |
| TPSA: | 335.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD48824
Formula: C10H21O5N3
Smiles:
NCCC(O)C(O)=NC1CC(N)C(O)C(O)C1O| HBA: | 8 | RingCount: | 1 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | -3.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 263.29 | Num_heavy_atoms: | 18 |
| TPSA: | 165.55 | NumAromaticRings: | 0 |
