Glycoside
GD141029
Name:
4-amino-N-(5-amino-4-{[3-amino-6-(aminomethyl)-4-chlorooxan-2-yl]oxy}-3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-hydroxycyclohexyl)-2-hydroxybutanimidic acidFormula:
C22H40O10N5ClSmiles:
NCCC(O)C(O)=NC1CC(N)C(OC2OC(CN)CC(Cl)C2N)C(OC2OC(CO)C(O)C2O)C1OAglycone:
NCCC(O)C(O)=NC1CC(N)C(OC2OC(CN)CC(Cl)C2N)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 0.95 |
| AlogP: | -4.67 | Num_rotatable_bonds: | 10 |
| MolWt: | 558.03 | Num_heavy_atoms: | 37 |
| TPSA: | 274.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD56846
Formula: C17H32O6N5Cl
Smiles:
NCCC(O)C(O)=NC1CC(N)C(OC2OC(CN)CC(Cl)C2N)C(O)C1O| HBA: | 11 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.94 |
| AlogP: | -3.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 425.91 | Num_heavy_atoms: | 28 |
| TPSA: | 215.82 | NumAromaticRings: | 0 |
