Glycoside
GD153531
Name:
{6-[(7-acetyl-8-hydroxy-3-methoxy-6-methylnaphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3,4,5-trihydroxybenzoateFormula:
C27H28O13Smiles:
COc1cc(OC2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)c2c(O)c(C(C)=O)c(C)cc2c1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 560.51 | Num_heavy_atoms: | 40 |
| TPSA: | 212.67 | NumAromaticRings: | 3 |
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 |
AD15787
Formula: C14H14O4
Smiles:
COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.26 | Num_heavy_atoms: | 18 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
