Glycoside
GD119684
Name:
2-hydroxy-N-(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl)icosanamideFormula:
C44H83O9NSmiles:
CCCCCCCCCC=CCCC=CC(O)C(COC1OC(CO)C(O)C(O)C1O)N=C(O)C(O)CCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCC=CCCC=CC(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 8.53 | Num_rotatable_bonds: | 36 |
| MolWt: | 770.15 | Num_heavy_atoms: | 54 |
| TPSA: | 172.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD47998
Formula: C38H73O4N
Smiles:
CCCCCCCCCC=CCCC=CC(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 10.71 | Num_rotatable_bonds: | 33 |
| MolWt: | 608.01 | Num_heavy_atoms: | 43 |
| TPSA: | 93.28 | NumAromaticRings: | 0 |
