Glycoside
GD116808
Name:
8-hydroxy-3-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-9-oneFormula:
C27H32O13Smiles:
Cc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1)C(C1OC(CO)C(O)C(O)C1O)c1cccc(O)c1C2=OAglycone:
Cc1cc(O)c2c(c1)Cc1cccc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.52 |
| AlogP: | -2.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 564.54 | Num_heavy_atoms: | 40 |
| TPSA: | 226.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD00259
Formula: C15H12O3
Smiles:
Cc1cc(O)c2c(c1)Cc1cccc(O)c1C2=O| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 0 |
| MolWt: | 240.26 | Num_heavy_atoms: | 18 |
| TPSA: | 57.53 | NumAromaticRings: | 2 |
