Glycoside
GD116655
Name:
N-(3,4-dihydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docos-13-en-2-yl)-2-hydroxyhexadecanamideFormula:
C44H85O10NSmiles:
CCCCCCCCC=CCCCCCCCCC(O)C(O)C(COC1OC(CO)C(O)C(O)C1O)N=C(O)C(O)CCCCCCCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCCCCC(O)C(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 7.73 | Num_rotatable_bonds: | 37 |
| MolWt: | 788.16 | Num_heavy_atoms: | 55 |
| TPSA: | 192.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD46369
Formula: C38H75O5N
Smiles:
CCCCCCCCC=CCCCCCCCCC(O)C(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCC| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 9.91 | Num_rotatable_bonds: | 34 |
| MolWt: | 626.02 | Num_heavy_atoms: | 44 |
| TPSA: | 113.51 | NumAromaticRings: | 0 |
