Glycoside
GD123466
Name:
2,3,5-trihydroxy-4,6-dimethoxycyclohexyl 3,5-bis(3-methylbut-2-en-1-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoateFormula:
C31H46O13Smiles:
COC1C(O)C(O)C(OC(=O)c2cc(CC=C(C)C)c(OC3OC(CO)C(O)C(O)C3O)c(CC=C(C)C)c2)C(OC)C1OAglycone:
COC1C(O)C(O)C(OC(=O)c2cc(CC=C(C)C)c(O)c(CC=C(C)C)c2)C(OC)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 11 |
| MolWt: | 626.7 | Num_heavy_atoms: | 44 |
| TPSA: | 204.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD49832
Formula: C25H36O8
Smiles:
COC1C(O)C(O)C(OC(=O)c2cc(CC=C(C)C)c(O)c(CC=C(C)C)c2)C(OC)C1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 8 |
| MolWt: | 464.56 | Num_heavy_atoms: | 33 |
| TPSA: | 125.68 | NumAromaticRings: | 1 |
