Glycoside
GD156055
Name:
4-hydroxy-9,10-dioxo-5-[(3,4,5-trihydroxy-6-{[(3-methoxy-3-oxopropanoyl)oxy]methyl}oxan-2-yl)oxy]-9,10-dihydroanthracene-2-carboxylic acidFormula:
C25H22O14Smiles:
COC(=O)CC(=O)OCC1OC(Oc2cccc3c2C(=O)c2c(O)cc(C(=O)O)cc2C3=O)C(O)C(O)C1OAglycone:
COC(=O)CC(=O)OC.O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 7 |
| MolWt: | 546.44 | Num_heavy_atoms: | 39 |
| TPSA: | 223.42 | NumAromaticRings: | 2 |
Unique Aglycone
AD21942
Formula: C5H8O4
Smiles:
COC(=O)CC(=O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 132.12 | Num_heavy_atoms: | 9 |
| TPSA: | 52.6 | NumAromaticRings: | 0 |
AD40245
Formula: C15H8O6
Smiles:
O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 284.22 | Num_heavy_atoms: | 21 |
| TPSA: | 111.9 | NumAromaticRings: | 2 |
