Glycoside
GD124102
Name:
[6-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-5,7-dimethoxy-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl 4-hydroxy-3,5-dimethoxybenzoateFormula:
C37H46O17Smiles:
COc1cc(C(=O)OCC2Cc3cc(OC)c(O)c(OC)c3C(c3cc(OC)c(O)c(OC)c3)C2COC2OC(CO)C(O)C(O)C2O)cc(OC)c1OAglycone:
COc1cc(C(=O)OCC2Cc3cc(OC)c(O)c(OC)c3C(c3cc(OC)c(O)c(OC)c3)C2CO)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.49 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 14 |
| MolWt: | 762.76 | Num_heavy_atoms: | 54 |
| TPSA: | 241.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD50109
Formula: C31H36O12
Smiles:
COc1cc(C(=O)OCC2Cc3cc(OC)c(O)c(OC)c3C(c3cc(OC)c(O)c(OC)c3)C2CO)cc(OC)c1O| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 3.62 | Num_rotatable_bonds: | 11 |
| MolWt: | 600.62 | Num_heavy_atoms: | 43 |
| TPSA: | 162.6 | NumAromaticRings: | 3 |
