Glycoside
GD148853
Name:
{3,4,5-trihydroxy-6-[3-hydroxy-2,6-dimethyl-4-(3-methylbutanoyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy]oxan-2-yl}methyl 3,4,5-trihydroxybenzoateFormula:
C32H42O18Smiles:
Cc1c(O)c(C(=O)CC(C)C)c(OC2OC(CO)C(O)C(O)C2O)c(C)c1OC1OC(COC(=O)c2cc(O)c(O)c(O)c2)C(O)C(O)C1OAglycone:
COC(=O)c1cc(O)c(O)c(O)c1.Cc1c(O)c(C)c(O)c(C(=O)CC(C)C)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.56 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 11 |
| MolWt: | 714.67 | Num_heavy_atoms: | 50 |
| TPSA: | 302.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD47564
Formula: C13H18O4
Smiles:
Cc1c(O)c(C)c(O)c(C(=O)CC(C)C)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 238.28 | Num_heavy_atoms: | 17 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
