Glycoside
GD121670
Name:
2-hydroxy-N-(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,10-dien-2-yl)tetracosanamideFormula:
C48H91O9NSmiles:
CCCCCCCC=CCCCCC=CC(O)C(COC1OC(CO)C(O)C(O)C1O)N=C(O)C(O)CCCCCCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCC=CCCCCC=CC(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | 10.1 | Num_rotatable_bonds: | 40 |
| MolWt: | 826.25 | Num_heavy_atoms: | 58 |
| TPSA: | 172.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD48987
Formula: C42H81O4N
Smiles:
CCCCCCCC=CCCCCC=CC(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 12.27 | Num_rotatable_bonds: | 37 |
| MolWt: | 664.11 | Num_heavy_atoms: | 47 |
| TPSA: | 93.28 | NumAromaticRings: | 0 |
