Glycoside
GD123628
Name:
1-(hexadecanoyloxy)-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propan-2-yl nonadec-9-enoateFormula:
C50H92O15Smiles:
CCCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CCCCCCCCCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 6.99 | Num_rotatable_bonds: | 40 |
| MolWt: | 933.27 | Num_heavy_atoms: | 65 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD49908
Formula: C38H72O5
Smiles:
CCCCCCCCCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 11.34 | Num_rotatable_bonds: | 34 |
| MolWt: | 608.99 | Num_heavy_atoms: | 43 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
