Glycoside
GD156816
Name:
[3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 3,4,5-trimethoxybenzoateFormula:
C29H38O15Smiles:
COc1cc(C(=O)OCC2(O)COC(OCC3OC(OCCc4ccc(O)cc4)C(O)C(O)C3O)C2O)cc(OC)c1OCAglycone:
COC(=O)c1cc(OC)c(OC)c(OC)c1.OCCc1ccc(O)cc1Sugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 13 |
| MolWt: | 626.61 | Num_heavy_atoms: | 44 |
| TPSA: | 212.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD03863
Formula: C8H10O2
Smiles:
OCCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
AD09743
Formula: C11H14O5
Smiles:
COC(=O)c1cc(OC)c(OC)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.36 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 226.23 | Num_heavy_atoms: | 16 |
| TPSA: | 53.99 | NumAromaticRings: | 1 |
