Glycoside
GD142660
Name:
2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-({1-[(10-methylhexadecyl)oxy]-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]propan-2-yl}oxy)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C37H70O17Smiles:
CCCCCCC(C)CCCCCCCCCOCC(COC1OCC(O)C(O)C1O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CCCCCCC(C)CCCCCCCCCOCC(O)COSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 26 |
| MolWt: | 786.95 | Num_heavy_atoms: | 54 |
| TPSA: | 266.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD57410
Formula: C20H42O3
Smiles:
CCCCCCC(C)CCCCCCCCCOCC(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 18 |
| MolWt: | 330.55 | Num_heavy_atoms: | 23 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
