Glycoside
GD156373
Name:
4-amino-N-(5-amino-4-{[6-(aminomethyl)-3-acetamido-4,5-dihydroxyoxan-2-yl]oxy}-3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-hydroxycyclohexyl)-2-hydroxybutanamideFormula:
C23H43O13N5Smiles:
CC(O)=NC1C(OC2C(N)CC(N=C(O)C(O)CCN)C(O)C2OC2OC(CO)C(O)C2O)OC(CN)C(O)C1OAglycone:
NCCC(O)C(O)=NC1CC(N)C(O)C(O)C1OSugarmoiety:
CC(O)=NC1C(O)OC(CN)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 15 | FractionCSP3: | 0.91 |
| AlogP: | -5.93 | Num_rotatable_bonds: | 11 |
| MolWt: | 597.62 | Num_heavy_atoms: | 41 |
| TPSA: | 321.77 | 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 |
