Glycoside
GD130954
Name:
(3,4,5,6-tetrahydroxyoxan-2-yl)methyl 3,5-bis(3-methylbut-2-en-1-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoateFormula:
C29H42O13Smiles:
CC(C)=CCc1cc(C(=O)OCC2OC(O)C(O)C(O)C2O)cc(CC=C(C)C)c1OC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)c1cc(CC=C(C)C)c(O)c(CC=C(C)C)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 10 |
| MolWt: | 598.64 | Num_heavy_atoms: | 42 |
| TPSA: | 215.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD45207
Formula: C18H24O3
Smiles:
COC(=O)c1cc(CC=C(C)C)c(O)c(CC=C(C)C)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.39 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.39 | Num_heavy_atoms: | 21 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
