Glycoside
GD119293
Name:
8-hydroxy-1-methyl-9,10-dioxo-3-[(3,4,5-trihydroxy-6-{[(3-phenylprop-2-enoyl)oxy]methyl}oxan-2-yl)oxy]-9,10-dihydroanthracene-2-carboxylic acidFormula:
C31H26O12Smiles:
Cc1c(C(=O)O)c(OC2OC(COC(=O)C=Cc3ccccc3)C(O)C(O)C2O)cc2c1C(=O)c1c(O)cccc1C2=OAglycone:
COC(=O)C=Cc1ccccc1.Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)cccc1C2=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.23 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 590.54 | Num_heavy_atoms: | 43 |
| TPSA: | 197.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD00648
Formula: C10H10O2
Smiles:
COC(=O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD47763
Formula: C16H10O6
Smiles:
Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)cccc1C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 298.25 | Num_heavy_atoms: | 22 |
| TPSA: | 111.9 | NumAromaticRings: | 2 |
