Glycoside
GD133453
Name:
2-hydroxy-1-methoxy-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-9,10-dihydroanthracene-9,10-dioneFormula:
C27H30O14Smiles:
COc1c(O)c(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)cc2c1C(=O)c1ccccc1C2=OAglycone:
COc1c(O)c(O)cc2c1C(=O)c1ccccc1C2=OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 578.52 | Num_heavy_atoms: | 41 |
| TPSA: | 221.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD51872
Formula: C15H10O5
Smiles:
COc1c(O)c(O)cc2c1C(=O)c1ccccc1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 83.83 | NumAromaticRings: | 2 |
