Glycoside
GD131375
Name:
methyl 1-hydroxy-9,10-dioxo-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-9,10-dihydroanthracene-2-carboxylateFormula:
C27H28O15Smiles:
COC(=O)c1c(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)cc2c(c1O)C(=O)c1ccccc1C2=OAglycone:
COC(=O)c1c(O)cc2c(c1O)C(=O)c1ccccc1C2=OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -2.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 592.51 | Num_heavy_atoms: | 42 |
| TPSA: | 238.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD53229
Formula: C16H10O6
Smiles:
COC(=O)c1c(O)cc2c(c1O)C(=O)c1ccccc1C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 298.25 | Num_heavy_atoms: | 22 |
| TPSA: | 100.9 | NumAromaticRings: | 2 |
