Glycoside
GD122451
Name:
2-hydroxy-N-(3-hydroxy-9-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8,10-trien-2-yl)heptadecanamideFormula:
C42H77O9NSmiles:
CCCCCCCC=CC(C)=CCCC=CC(O)C(COC1OC(CO)C(O)C(O)C1O)N=C(O)C(O)CCCCCCCCCCCCCCCAglycone:
CCCCCCCC=CC(C)=CCCC=CC(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | 7.53 | Num_rotatable_bonds: | 32 |
| MolWt: | 740.08 | Num_heavy_atoms: | 52 |
| TPSA: | 172.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD49341
Formula: C36H67O4N
Smiles:
CCCCCCCC=CC(C)=CCCC=CC(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 9.71 | Num_rotatable_bonds: | 29 |
| MolWt: | 577.94 | Num_heavy_atoms: | 41 |
| TPSA: | 93.28 | NumAromaticRings: | 0 |
