Glycoside
GD130911
Name:
2-(Pentadecanoylamino)-3-Methylbutyric Acid 2-Deoxy-2-(Butyrylamino)-Alpha-D-Glucopyranosyl EsterFormula:
C30H56O8N2Smiles:
CCCCCCCCCCCCCCC(O)=NC(C(=O)OC1OC(CO)C(O)C(O)C1N=C(O)CCC)C(C)CAglycone:
CCCC(=N)O.CCCCCCCCCCCCCCC(O)=NC(C(=O)O)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 5.17 | Num_rotatable_bonds: | 21 |
| MolWt: | 572.78 | Num_heavy_atoms: | 40 |
| TPSA: | 161.4 | NumAromaticRings: | 0 |
Unique Aglycone
AD53054
Formula: C4H9ON
Smiles:
CCCC(=N)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 87.12 | Num_heavy_atoms: | 6 |
| TPSA: | 44.08 | NumAromaticRings: | 0 |
AD53055
Formula: C20H39O3N
Smiles:
CCCCCCCCCCCCCCC(O)=NC(C(=O)O)C(C)C| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 6.14 | Num_rotatable_bonds: | 16 |
| MolWt: | 341.54 | Num_heavy_atoms: | 24 |
| TPSA: | 69.89 | NumAromaticRings: | 0 |
