Glycoside
GD123375
Name:
1-hydroxy-3-(hydroxymethyl)-6-methyl-8-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C28H32O15Smiles:
Cc1cc(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c2c(c1)C(=O)c1cc(CO)cc(O)c1C2=OAglycone:
Cc1cc(O)c2c(c1)C(=O)c1cc(CO)cc(O)c1C2=OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -3.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 608.55 | Num_heavy_atoms: | 43 |
| TPSA: | 253.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD49780
Formula: C16H12O5
Smiles:
Cc1cc(O)c2c(c1)C(=O)c1cc(CO)cc(O)c1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 94.83 | NumAromaticRings: | 2 |
