Glycoside
GD135471
Name:
2-[4-hydroxy-3-(12-hydroxy-4,8,12-trimethyl-11-oxo-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}trideca-3,7-dien-1-yl)-3,4-dimethyl-2-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl)cyclohexylidene]propanalFormula:
C42H70O16Smiles:
CC(=CCC(OC1OC(CO)C(O)C(O)C1O)C(C)=CCCC1(C)C(CCCOC2OC(CO)C(O)C(O)C2O)C(=C(C)C=O)CCC1(C)O)CCC(=O)C(C)(C)OAglycone:
CC(=CCC(O)C(C)=CCCC1(C)C(CCCO)C(=C(C)C=O)CCC1(C)O)CCC(=O)C(C)(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.81 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 20 |
| MolWt: | 831.01 | Num_heavy_atoms: | 58 |
| TPSA: | 273.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD54405
Formula: C30H50O6
Smiles:
CC(=CCC(O)C(C)=CCCC1(C)C(CCCO)C(=C(C)C=O)CCC1(C)O)CCC(=O)C(C)(C)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 4.99 | Num_rotatable_bonds: | 14 |
| MolWt: | 506.72 | Num_heavy_atoms: | 36 |
| TPSA: | 115.06 | NumAromaticRings: | 0 |
