Glycoside
GD116566
Name:
[3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[(5-methyl-2-oxo-2H-chromen-4-yl)oxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 4-hydroxy-3,5-dimethoxybenzoateFormula:
C30H34O16Smiles:
COc1cc(C(=O)OCC2(O)COC(OCC3OC(Oc4cc(=O)oc5cccc(C)c45)C(O)C(O)C3O)C2O)cc(OC)c1OAglycone:
COC(=O)c1cc(OC)c(O)c(OC)c1.Cc1cccc2oc(=O)cc(O)c12Sugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 10 |
| MolWt: | 650.59 | Num_heavy_atoms: | 46 |
| TPSA: | 233.27 | NumAromaticRings: | 3 |
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 |
AD29404
Formula: C10H8O3
Smiles:
Cc1cccc2oc(=O)cc(O)c12| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 0 |
| MolWt: | 176.17 | Num_heavy_atoms: | 13 |
| TPSA: | 50.44 | NumAromaticRings: | 2 |
