Glycoside
GD115514
Name:
14-hydroxy-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-(2,4,6-trihydroxyphenyl)octadecan-1-oneFormula:
C30H50O11Smiles:
CCCCC(O)CC(CCCCCCCCCCC(=O)c1c(O)cc(O)cc1O)OC1OC(CO)C(O)C(O)C1OAglycone:
CCCCC(O)CC(O)CCCCCCCCCCC(=O)c1c(O)cc(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.77 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 20 |
| MolWt: | 586.72 | Num_heavy_atoms: | 41 |
| TPSA: | 197.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD45708
Formula: C24H40O6
Smiles:
CCCCC(O)CC(O)CCCCCCCCCCC(=O)c1c(O)cc(O)cc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | 5.19 | Num_rotatable_bonds: | 17 |
| MolWt: | 424.58 | Num_heavy_atoms: | 30 |
| TPSA: | 118.22 | NumAromaticRings: | 1 |
