Glycoside
GD124202
Name:
5-[(2-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,7,10,13,16,19,22-heptaoxapentacos-24-en-1-yl)oxy]-N,N,2-trimethyl-1,3-dioxane-2-carboxamideFormula:
C38H69O22NSmiles:
C=CCOCCOCCOCCOCCOCCOCCOCC(COC1COC(C)(C(=O)N(C)C)OC1)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
C=CCOCCOCCOCCOCCOCCOCCOCC(O)COC1COC(C)(C(=O)N(C)C)OC1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | -4.47 | Num_rotatable_bonds: | 32 |
| MolWt: | 891.96 | Num_heavy_atoms: | 61 |
| TPSA: | 291.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD50160
Formula: C26H49O12N
Smiles:
C=CCOCCOCCOCCOCCOCCOCCOCC(O)COC1COC(C)(C(=O)N(C)C)OC1| HBA: | 13 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 26 |
| MolWt: | 567.67 | Num_heavy_atoms: | 39 |
| TPSA: | 132.84 | NumAromaticRings: | 0 |
