Glycoside
GD145930
Name:
{3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-{[4-(1-hydroxy-2,2,6-trimethyl-4-oxocyclohexyl)butan-2-yl]oxy}oxan-2-yl)methoxy]oxolan-3-yl}methyl 4-hydroxy-3,5-dimethoxybenzoateFormula:
C33H50O16Smiles:
COc1cc(C(=O)OCC2(O)COC(OCC3OC(OC(C)CCC4(O)C(C)CC(=O)CC4(C)C)C(O)C(O)C3O)C2O)cc(OC)c1OAglycone:
CC(O)CCC1(O)C(C)CC(=O)CC1(C)C.COC(=O)c1cc(OC)c(O)c(OC)c1Sugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.76 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 13 |
| MolWt: | 702.75 | Num_heavy_atoms: | 49 |
| TPSA: | 240.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD00094
Formula: C10H12O5
Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD53928
Formula: C13H24O3
Smiles:
CC(O)CCC1(O)C(C)CC(=O)CC1(C)C| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.92 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 3 |
| MolWt: | 228.33 | Num_heavy_atoms: | 16 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
