Glycoside
GD142605
Name:
2-{[6-(3,6,9,12,15,18-hexaoxahenicos-20-en-1-yloxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H50O17Smiles:
C=CCOCCOCCOCCOCCOCCOCCOC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
C=CCOCCOCCOCCOCCOCCOCCOSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | -4.09 | Num_rotatable_bonds: | 25 |
| MolWt: | 646.68 | Num_heavy_atoms: | 44 |
| TPSA: | 233.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD46707
Formula: C15H30O7
Smiles:
C=CCOCCOCCOCCOCCOCCOCCO| HBA: | 7 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 19 |
| MolWt: | 322.4 | Num_heavy_atoms: | 22 |
| TPSA: | 75.61 | NumAromaticRings: | 0 |
