Glycoside
GD133724
Name:
N-(2-{3-oxo-hexahydropyrrolo[1,2-c][1,3]oxazol-1-ylidene}acetyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexadec-4-enamideFormula:
C30H48O9N2Smiles:
CCCCCCCCCCCC=CC(CC(O)=NC(=O)C=C1OC(=O)N2CCCC12)OC1OC(C)C(O)C(O)C1OAglycone:
CCCCCCCCCCCC=CC(O)CC(O)=NC(=O)C=C1OC(=O)N2CCCC12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 4.05 | Num_rotatable_bonds: | 16 |
| MolWt: | 580.72 | Num_heavy_atoms: | 41 |
| TPSA: | 158.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD54104
Formula: C24H38O5N2
Smiles:
CCCCCCCCCCCC=CC(O)CC(O)=NC(=O)C=C1OC(=O)N2CCCC12| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 5.2 | Num_rotatable_bonds: | 14 |
| MolWt: | 434.58 | Num_heavy_atoms: | 31 |
| TPSA: | 99.43 | NumAromaticRings: | 0 |
