Glycoside
GD138044
Name:
2-[(14-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C38H64O16Smiles:
C=CC(C)(CCC=C(C)CCC=C(C)CCC=C(C)COC1OC(CO)C(O)C(O)C1O)OC1OC(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C1OAglycone:
C=CC(C)(O)CCC=C(C)CCC=C(C)CCC=C(C)COSugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.79 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 19 |
| MolWt: | 776.91 | Num_heavy_atoms: | 54 |
| TPSA: | 257.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD03073
Formula: C20H34O2
Smiles:
C=CC(C)(O)CCC=C(C)CCC=C(C)CCC=C(C)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 5.1 | Num_rotatable_bonds: | 11 |
| MolWt: | 306.49 | Num_heavy_atoms: | 22 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
