Glycoside
GD152894
Name:
(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methoxy}oxolan-3-yl)methyl 3,4-dimethoxybenzoateFormula:
C29H38O16Smiles:
COc1ccc(C(=O)OCC2(O)COC(OCC3OC(Oc4cc(OC)c(OC)c(OC)c4)C(O)C(O)C3O)C2O)cc1OCAglycone:
COC(=O)c1ccc(OC)c(OC)c1.COc1cc(O)cc(OC)c1OCSugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 13 |
| MolWt: | 642.61 | Num_heavy_atoms: | 45 |
| TPSA: | 210.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD07763
Formula: C9H12O4
Smiles:
COc1cc(O)cc(OC)c1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 47.92 | NumAromaticRings: | 1 |
AD13182
Formula: C10H12O4
Smiles:
COC(=O)c1ccc(OC)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 44.76 | NumAromaticRings: | 1 |
