Glycoside
GD114569
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)octacos-21-enimidic acidFormula:
C53H97O9NSmiles:
CCCCCCC=CCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=C(C)C=CCCCCCCCAglycone:
CCCCCCC=CCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C=CCCC=C(C)C=CCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | 11.6 | Num_rotatable_bonds: | 42 |
| MolWt: | 892.36 | Num_heavy_atoms: | 63 |
| TPSA: | 172.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD45139
Formula: C47H87O4N
Smiles:
CCCCCCC=CCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C=CCCC=C(C)C=CCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 13.77 | Num_rotatable_bonds: | 39 |
| MolWt: | 730.22 | Num_heavy_atoms: | 52 |
| TPSA: | 93.28 | NumAromaticRings: | 0 |
