Glycoside
GD156276
Name:
4-amino-N-(5-amino-4-{[3-amino-6-(aminomethyl)oxan-2-yl]oxy}-3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-hydroxycyclohexyl)-2-hydroxybutanimidic acidFormula:
C21H41O10N5Smiles:
NCCC(O)C(O)=NC1CC(N)C(OC2OC(CN)CCC2N)C(OC2OC(CO)C(O)C2O)C1OAglycone:
NCCC(O)C(O)=NC1CC(N)C(OC2OC(CN)CCC2N)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 0.95 |
| AlogP: | -4.89 | Num_rotatable_bonds: | 10 |
| MolWt: | 523.58 | Num_heavy_atoms: | 36 |
| TPSA: | 274.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD54516
Formula: C16H33O6N5
Smiles:
NCCC(O)C(O)=NC1CC(N)C(OC2OC(CN)CCC2N)C(O)C1O| HBA: | 11 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.94 |
| AlogP: | -3.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 391.47 | Num_heavy_atoms: | 27 |
| TPSA: | 215.82 | NumAromaticRings: | 0 |
