Glycoside
GD137053
Name:
4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl octadec-12-enoateFormula:
C30H54O12Smiles:
CCCCCC=CCCCCCCCCCCC(=O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CCCCCC=CCCCCCCCCCCC(=O)OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 20 |
| MolWt: | 606.75 | Num_heavy_atoms: | 42 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD55389
Formula: C18H34O2
Smiles:
CCCCCC=CCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 15 |
| MolWt: | 282.47 | Num_heavy_atoms: | 20 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
