Glycoside
GD116873
Name:
3,4-bis(acetyloxy)-1,6-bis[(2-hydroxy-3-methylbutanoyl)oxy]-5-{[3-methyl-2-(methylideneamino)butanoyl]oxy}hexan-2-yl 3-methyl-2-(methylideneamino)butanoateFormula:
C32H52O14N2Smiles:
C=NC(C(=O)OC(COC(=O)C(O)C(C)C)C(OC(C)=O)C(OC(C)=O)C(COC(=O)C(O)C(C)C)OC(=O)C(N=C)C(C)C)C(C)CAglycone:
C=NC(C=O)C(C)C.C=NC(C=O)C(C)C.CC(C)C(O)C=O.CC(C)C(O)C=OSugarmoiety:
CC(=O)OC(C(COO)OO)C(OC(C)=O)C(COO)OOOther Identifiers
Properties
| HBA: | 16 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 21 |
| MolWt: | 688.77 | Num_heavy_atoms: | 48 |
| TPSA: | 222.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD46499
Formula: C6H11ON
Smiles:
C=NC(C=O)C(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 113.16 | Num_heavy_atoms: | 8 |
| TPSA: | 29.43 | NumAromaticRings: | 0 |
AD46500
Formula: C5H10O2
Smiles:
CC(C)C(O)C=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
