Glycoside
GD128104
Name:
2-hydroxy-N-(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-5,12-dien-2-yl)hexadecanamideFormula:
C40H75O9NSmiles:
CCCCCC=CCCCCCC=CCC(O)C(COC1OC(CO)C(O)C(O)C1O)N=C(O)C(O)CCCCCCCCCCCCCCAglycone:
CCCCCC=CCCCCCC=CCC(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 6.97 | Num_rotatable_bonds: | 32 |
| MolWt: | 714.04 | Num_heavy_atoms: | 50 |
| TPSA: | 172.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD51892
Formula: C34H65O4N
Smiles:
CCCCCC=CCCCCCC=CCC(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 9.15 | Num_rotatable_bonds: | 29 |
| MolWt: | 551.9 | Num_heavy_atoms: | 39 |
| TPSA: | 93.28 | NumAromaticRings: | 0 |
