Glycoside
GD125041
Name:
4-amino-N-(5-amino-4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-2,3-dihydroxycyclohexyl)-2-hydroxybutanimidic acidFormula:
C16H33O8N5Smiles:
NCCC(O)C(O)=NC1CC(N)C(OC2OC(CN)C(O)C(O)C2N)C(O)C1OAglycone:
NCCC(O)C(O)=NC1CC(N)C(O)C(O)C1OSugarmoiety:
NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 14 | FractionCSP3: | 0.94 |
| AlogP: | -5.41 | Num_rotatable_bonds: | 7 |
| MolWt: | 423.47 | Num_heavy_atoms: | 29 |
| TPSA: | 256.28 | 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 |
