Glycoside
GD145657
Name:
(5-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{[4-(1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl)but-3-en-2-yl]oxy}oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl)methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoateFormula:
C35H52O17Smiles:
COc1cc(C=CC(=O)OCC2(O)COC(OC3C(OC(C)C=CC4(O)C(C)(C)CC(O)CC4(C)O)OC(CO)C(O)C3O)C2O)cc(OC)c1OAglycone:
CC(O)C=CC1(O)C(C)(C)CC(O)CC1(C)O.COC(=O)C=Cc1cc(OC)c(O)c(OC)c1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.69 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 13 |
| MolWt: | 744.78 | Num_heavy_atoms: | 52 |
| TPSA: | 263.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD03982
Formula: C12H14O5
Smiles:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 238.24 | Num_heavy_atoms: | 17 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD06644
Formula: C13H24O4
Smiles:
CC(O)C=CC1(O)C(C)(C)CC(O)CC1(C)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.33 | Num_heavy_atoms: | 17 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
