Glycoside
GD153393
Name:
1-hydroxy-6,8-dimethoxy-2-methyl-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:
C29H34O15Smiles:
COc1cc(OC)c2c(c1)C(=O)c1cc(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)c(C)c(O)c1C2=OAglycone:
COc1cc(OC)c2c(c1)C(=O)c1cc(O)c(C)c(O)c1C2=OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 622.58 | Num_heavy_atoms: | 44 |
| TPSA: | 231.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD61010
Formula: C17H14O6
Smiles:
COc1cc(OC)c2c(c1)C(=O)c1cc(O)c(C)c(O)c1C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 314.29 | Num_heavy_atoms: | 23 |
| TPSA: | 93.06 | NumAromaticRings: | 2 |
