Glycoside
GD154059
Name:
1-hydroxy-2-(hydroxymethyl)-3-{[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]methyl}-9,10-dihydroanthracene-9,10-dioneFormula:
C27H30O14Smiles:
O=C1c2ccccc2C(=O)c2c1cc(COC1OC(COC3OCC(O)C(O)C3O)C(O)C(O)C1O)c(CO)c2OAglycone:
O=C1c2ccccc2C(=O)c2c1cc(CO)c(CO)c2OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 578.52 | Num_heavy_atoms: | 41 |
| TPSA: | 232.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD61227
Formula: C16H12O5
Smiles:
O=C1c2ccccc2C(=O)c2c1cc(CO)c(CO)c2O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 94.83 | NumAromaticRings: | 2 |
