Glycoside
GD116323
Name:
2-hydroxy-N-(3-hydroxy-9-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl)pentadecanamideFormula:
C40H75O9NSmiles:
CCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=C(C)CCCCCCCCCAglycone:
CCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C=CCCC=C(C)CCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 6.97 | Num_rotatable_bonds: | 31 |
| MolWt: | 714.04 | Num_heavy_atoms: | 50 |
| TPSA: | 172.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD46169
Formula: C34H65O4N
Smiles:
CCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C=CCCC=C(C)CCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 9.15 | Num_rotatable_bonds: | 28 |
| MolWt: | 551.9 | Num_heavy_atoms: | 39 |
| TPSA: | 93.28 | NumAromaticRings: | 0 |
