Glycoside
GD132815
Name:
(3,4-dihydroxy-6-{[4-hydroxy-6-(hydroxymethyl)-5-[(2-methylbut-2-enoyl)oxy]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl 2-methylbut-2-enoateFormula:
C34H54O23Smiles:
CC=C(C)C(=O)OCC1OC(OC2OC(CO)C(OC(=O)C(C)=CC)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
CC=C(C)C(=O)O.CC=C(C)C(=O)OCSugarmoiety:
OCC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)O1Other Identifiers
Properties
| HBA: | 23 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.82 |
| AlogP: | -6.71 | Num_rotatable_bonds: | 14 |
| MolWt: | 830.78 | Num_heavy_atoms: | 57 |
| TPSA: | 359.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD00342
Formula: C5H8O2
Smiles:
CC=C(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD45418
Formula: C6H10O2
Smiles:
CC=C(C)C(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.14 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
